chempirical

5-Phenyltetrazole

C7H6N4CAS 18039-42-4146.15 g/mol

Open in Covalent MOL file
NNNHN

Properties

Molecular formula
C7H6N4
Molar mass
146.15 g/mol
Exact mass
146.0592 Da
Melting point
215 °C
logP
0.87Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
18039-42-4
SMILES
c1ccc(-c2nn[nH]n2)cc1
InChIKey
MARUHZGHZWCEQU-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)

Weigh it out

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Names and synonyms

17 names · show all
  • 2H-Tetrazole, 5-phenyl-
  • 1H-Tetrazole, 5-phenyl-
  • Tetrazole, 5-phenyl-
  • 5-Phenyl-2H-tetrazole
  • MA 1623
  • 5-Phenyl-1H-tetrazole
  • Kempore 50XPT
  • Expandex OX 5PT
  • Expandex 5PT
  • 5-Phenyl-1,2,3,4-tetrazole
  • Phenyltetrazole
  • Unifoam HB 1
  • Unicell 5PT
  • NSC 11138
  • Celltetra BHT-P 5T
  • Celltetra P 5T
  • 5-Phenyl-1,2,3,4-tetraazole

Work with 5-Phenyltetrazole

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

3-(2H-Tetrazol-5-yl)pyridine3250-74-662 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-561 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-861 % similar 5-(3-Bromophenyl)-2H-tetrazole3440-99-158 % similar 5-(3-Aminophenyl)tetrazole73732-51-158 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-855 % similar 5-(2-Bromophenyl)-2H-tetrazole73096-42-153 % similar 5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole120568-11-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pyridine, 3-(1H-1,2,3-triazol-4-yl)- (9ci)120241-79-4

Elsewhere

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