Pentylenetetrazole

C6H10N4CAS 54-95-5138.17 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C6H10N4
Molar mass
138.17 g/mol
Exact mass
138.0905 Da
Melting point
59.5 °C
Boiling point
140 °C (at 6 Torr)
Water solubility
≥ 100 g/L (21.1 °C)
logP
0.40Crippen estimate
Polar surface area
43.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
54-95-5
SMILES
C1CCc2nnnn2CC1
InChIKey
CWRVKFFCRWGWCS-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

51 names · show all
  • 5H-Tetrazolo[1,5-a]azepine, 6,7,8,9-tetrahydro-
  • 6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine
  • Cardiazol
  • Cardiazole
  • Cenazol
  • Cerebro-nicin
  • Coranormol
  • Corasol
  • Corazol
  • Corazole
  • Cortis
  • Delzol W
  • Deumacard
  • Gewazol
  • Leptazol
  • Metrazol
  • Metrazole
  • Pentamethylenetetrazole
  • 1,5-Pentamethylenetetrazole
  • Pentetrazol
  • Pentetrazole
  • Pentrazol
  • Pentrolone
  • Pentylenetetrazol
  • Phrenazol
  • PTZ
  • Tetracor
  • 6,7,8,9-Tetrahydro-5H-tetrazoloazepine
  • 7,8,9,10-Tetrazabicyclo[5.3.0]-8,10-decadiene
  • 1,2,3,3a-Tetrazacyclohepta-8a,2-cyclopentadiene
  • Ventrazol
  • Corazole (analeptic)
  • Tetrazole, (1,5-pentanediyl)-
  • α,β-Cyclopentamethylenetetrazole
  • Cenalene M
  • Corvasol
  • Korazole
  • Corsedrol
  • Korazol
  • Leptazole
  • Tetrazol
  • Angiazol
  • Pentazol
  • Cardiol
  • Yetrazol
  • Corisan
  • Pentrozol
  • Coranormal
  • NSC 5729
  • NSC 66489
  • Pentavet

Work with Pentylenetetrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole73963-42-539 % similar 2-(5-Mercaptotetrazole-1-yl)ethanol56610-81-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydrazino-2,6-dimethylpyrimidine14331-56-7 4-Amino-2-methyl-5-pyrimidinemethanamine95-02-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook