Pentetrazol

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  • Identifiers

    CAS number
    54-95-5

    Molecular formula
    C6H10N4

    SMILES
    C1CCC2=NN=NN2CC1

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 69.55%
    Roasted 65.56%
    Earthy 52.49%
    Musty 48.46%
    Popcorn 45.91%
    Fishy 37.48%
    Hazelnut 35.71%
    Potato 35.24%
    Burnt 34.64%
    Coffee 33.22%

     

    Flavor
    Roasted 50.99%
    Bitter 43.93%
    Nut 36.0%
    Musty 32.64%
    Corn 32.48%
    Earthy 30.72%
    Animal 30.21%
    Roast 28.63%
    Cereal 28.06%
    Chip 27.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    5.5 (weak acid)

    Molecular weight
    138.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    311°C

    Melting point expt.

    • 135 to 136 °F (NTP, 1992)

    Flash point

    • 151.83 ˚C est.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)

  • Synonyms

    • Pentetrazol
    • PENTYLENETETRAZOLE
    • Pentylenetetrazol
    • 54-95-5
    • Metrazole
    • Cardiazol
    • 1,5-Pentamethylenetetrazole
    • Cardiazole
    • Cardiol
    • Corazole
    • Korazol
    • Metrazol
    • Coranormol
    • Korazole
    • Leptazol
    • Leptazole
    • Cenazol
    • Corazol
    • Coryvet
    • Pentetrazole
    • Pentazol
    • Pentamethylenetetrazole
    • Cardiotonicum
    • Pentamethazol
    • Cardifortan
    • Cardosal
    • Cardosan
    • Coratoline
    • Corvasol
    • Deumacard
    • Diovascole
    • Kardiazol
    • Phrenazol
    • Ventrazol
    • Corasol
    • Gewazol
    • Pentamethylenetetrazol
    • 6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine
    • Pentamethazolum
    • Angiazol
    • Centrazole
    • Coranormal
    • Corsedrol
    • Deamocard
    • Nauranzol
    • Naurazol
    • Nedcardol
    • Neocardol
    • Neurazol
    • Pemetesan
    • Penetrasol
    • Pentacard
    • Pentazolum
    • Pentemesan
    • Pentrazol
    • Pentrolone
    • Pentrozol
    • Petrazole
    • Phrenazone
    • Tetracor
    • Tetrazol
    • Yetrazol
    • Corisan
    • Cortis
    • Corvis
    • Opticor
    • Vasorex
    • Cerebro-nicin
    • Novo cora-vinco
    • Cenalene-M
    • Metalex-P
    • Corazole (analeptic)
    • Delzol-W
    • Pentamethylene-1,5-tetrazole
    • Tetrazole, pentamethylene-
    • TT87
    • Penetratsol
    • Pentetrazolum
    • Stellacardiol
    • Stillcardiol
    • Angioton
    • Lepazol
    • Penetiazol
    • Pentacor
    • Petazol
    • Petezol
    • alpha,beta-Cyclopentamethylenetetrazole
    • PTZ
    • 6,7,8,9-Tetrahydro-5-azepotetrazole
    • Tetrazole, (1,5-pentanediyl)-
    • Pentametilentetrazolo
    • Pentetrazol [INN]
    • 6,7,8,9-Tetrahydro-5H-tetrazoloazepine
    • 5H-Tetrazolo[1,5-a]azepine, 6,7,8,9-tetrahydro-
    • Cardiozol
    • Su-Zol
    • Pentamethylenetetrazal
    • NSC-5729
    • NSC-66489
    • 1,2,3,3a-Tetrazacyclohepta-8a,2-cyclopentadiene
    • 5H-Tetrazolo(1,5-a)azepine, 6,7,8,9-tetrahydro-
    • .alpha.,.beta.-Cyclopentamethylenetetrazole
    • WM5Z385K7T
    • DTXSID7041091
    • CHEBI:34910
    • NSC5729
    • 6,7,8,9-Tetrahydro-5H-tetrazolo(1,5-a)azepine
    • NSC66489
    • Pentetrazol (INN)
    • 7,8,9,10-Tetrazabicyclo(5.3.0)-8,10-decadiene
    • 7,8,9,10-Tetrazabicyclo[5.3.0]-8,10-decadiene
    • MFCD00005939
    • CAS-54-95-5
    • NCGC00015827-06
    • Pentetratsol
    • Corazolum
    • Pentrazole
    • Tetrazole,5-pentanediyl)-
    • WLN: T57 ANNNN&TJ
    • PMT
    • Pentetrazolo [DCIT]
    • Pentetrazolo
    • 6,8,9-Tetrahydro-5-azepotetrazole
    • 6,8,9-Tetrahydro-5H-tetrazoloazepine
    • Pentetrazolum [INN-Latin]
    • 5H-Tetrazoloazepine,7,8,9-tetrahydro-
    • 5H-Tetrazolo[1, 6,7,8,9-tetrahydro-
    • Pentametilentetrazolo [Italian]

  • Applications

    Pentetrazol (CAS 54-95-5) is primarily used as a pharmacological convulsant in neuroscience and pharmaceutical research to induce seizures in animal models, enabling anticonvulsant drug screening and studies of GABA-A receptor antagonism; it is commonly employed in academic and contract research laboratories under strict safety protocols and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.51
    methanol 66.09
    isopropanol 24.81
    water 4.42
    ethyl acetate 31.7
    n-propanol 30.84
    acetone 63.35
    n-butanol 25.94
    acetonitrile 39.36
    DMF 323.68
    toluene 23.78
    isobutanol 25.54
    1,4-dioxane 91.76
    methyl acetate 52.04
    THF 90.21
    2-butanone 52.44
    n-pentanol 26.37
    sec-butanol 23.12
    n-hexane 1.32
    ethylene glycol 49.75
    NMP 260.31
    cyclohexane 2.92
    DMSO 316.25
    n-butyl acetate 31.49
    n-octanol 15.97
    chloroform 210.21
    n-propyl acetate 24.99
    acetic acid 84.19
    dichloromethane 205.34
    cyclohexanone 94.04
    propylene glycol 41.23
    isopropyl acetate 21.51
    DMAc 230.14
    2-ethoxyethanol 57.89
    isopentanol 26.45
    n-heptane 1.48
    ethyl formate 48.06
    1,2-dichloroethane 115.95
    n-hexanol 24.74
    2-methoxyethanol 101.84
    isobutyl acetate 19.46
    tetrachloromethane 20.64
    n-pentyl acetate 26.9
    transcutol 222.49
    n-heptanol 15.86
    ethylbenzene 16.73
    MIBK 27.15
    2-propoxyethanol 59.52
    tert-butanol 26.55
    MTBE 18.7
    2-butoxyethanol 43.69
    propionic acid 63.03
    o-xylene 23.99
    formic acid 81.51
    diethyl ether 15.47
    m-xylene 18.7
    p-xylene 27.85
    chlorobenzene 88.61
    dimethyl carbonate 40.77
    n-octane 1.03
    formamide 105.88
    cyclopentanone 118.35
    2-pentanone 31.84
    anisole 45.47
    cyclopentyl methyl ether 28.15
    gamma-butyrolactone 156.23
    1-methoxy-2-propanol 67.0
    pyridine 140.92
    3-pentanone 32.47
    furfural 245.84
    n-dodecane 1.67
    diethylene glycol 81.47
    diisopropyl ether 6.6
    tert-amyl alcohol 25.76
    acetylacetone 61.64
    n-hexadecane 1.92
    acetophenone 56.53
    methyl propionate 41.48
    isopentyl acetate 32.27
    trichloroethylene 271.99
    n-nonanol 15.66
    cyclohexanol 29.44
    benzyl alcohol 55.75
    2-ethylhexanol 17.72
    isooctanol 14.55
    dipropyl ether 12.68
    1,2-dichlorobenzene 93.01
    ethyl lactate 30.1
    propylene carbonate 86.63
    n-methylformamide 115.35
    2-pentanol 15.79
    n-pentane 1.21
    1-propoxy-2-propanol 39.42
    1-methoxy-2-propyl acetate 42.2
    2-(2-methoxypropoxy) propanol 59.89
    mesitylene 13.39
    ε-caprolactone 76.47
    p-cymene 14.2
    epichlorohydrin 154.84
    1,1,1-trichloroethane 71.01
    2-aminoethanol 49.88
    morpholine-4-carbaldehyde 195.22
    sulfolane 251.47
    2,2,4-trimethylpentane 1.92
    2-methyltetrahydrofuran 48.45
    n-hexyl acetate 34.74
    isooctane 1.38
    2-(2-butoxyethoxy)ethanol 74.51
    sec-butyl acetate 18.24
    tert-butyl acetate 26.32
    decalin 3.98
    glycerin 84.49
    diglyme 125.28
    acrylic acid 100.23
    isopropyl myristate 17.05
    n-butyric acid 50.92
    acetyl acetate 33.22
    di(2-ethylhexyl) phthalate 32.27
    ethyl propionate 24.11
    nitromethane 164.45
    1,2-diethoxyethane 44.1
    benzonitrile 84.57
    trioctyl phosphate 19.27
    1-bromopropane 33.32
    gamma-valerolactone 174.21
    n-decanol 13.04
    triethyl phosphate 23.83
    4-methyl-2-pentanol 13.98
    propionitrile 34.91
    vinylene carbonate 109.18
    1,1,2-trichlorotrifluoroethane 170.29
    DMS 58.22
    cumene 14.87
    2-octanol 11.32
    2-hexanone 29.04
    octyl acetate 22.22
    limonene 16.79
    1,2-dimethoxyethane 85.54
    ethyl orthosilicate 21.07
    tributyl phosphate 24.36
    diacetone alcohol 42.47
    N,N-dimethylaniline 36.25
    acrylonitrile 76.56
    aniline 52.09
    1,3-propanediol 53.82
    bromobenzene 92.32
    dibromomethane 99.92
    1,1,2,2-tetrachloroethane 192.78
    2-methyl-cyclohexyl acetate 29.86
    tetrabutyl urea 34.58
    diisobutyl methanol 12.02
    2-phenylethanol 45.61
    styrene 24.42
    dioctyl adipate 31.53
    dimethyl sulfate 104.2
    ethyl butyrate 23.9
    methyl lactate 50.59
    butyl lactate 35.48
    diethyl carbonate 24.71
    propanediol butyl ether 56.05
    triethyl orthoformate 22.89
    p-tert-butyltoluene 13.07
    methyl 4-tert-butylbenzoate 50.86
    morpholine 83.99
    tert-butylamine 14.84
    n-dodecanol 10.99
    dimethoxymethane 74.5
    ethylene carbonate 74.41
    cyrene 74.28
    2-ethoxyethyl acetate 45.91
    2-ethylhexyl acetate 26.98
    1,2,4-trichlorobenzene 117.12
    4-methylpyridine 96.8
    dibutyl ether 14.95
    2,6-dimethyl-4-heptanol 12.02
    DEF 55.47
    dimethyl isosorbide 91.66
    tetrachloroethylene 127.16
    eugenol 63.67
    triacetin 54.11
    span 80 51.45
    1,4-butanediol 36.03
    1,1-dichloroethane 70.98
    2-methyl-1-pentanol 27.37
    methyl formate 102.63
    2-methyl-1-butanol 25.61
    n-decane 1.97
    butyronitrile 29.77
    3,7-dimethyl-1-octanol 19.13
    1-chlorooctane 10.2
    1-chlorotetradecane 6.41
    n-nonane 1.48
    undecane 1.81
    tert-butylcyclohexane 3.2
    cyclooctane 1.22
    cyclopentanol 41.35
    tetrahydropyran 43.55
    tert-amyl methyl ether 16.73
    2,5,8-trioxanonane 106.36
    1-hexene 6.48
    2-isopropoxyethanol 37.83
    2,2,2-trifluoroethanol 62.23
    methyl butyrate 35.58

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction