chempirical

5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole

C14H12N4CAS 120568-11-8236.28 g/mol

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Properties

Molecular formula
C14H12N4
Molar mass
236.28 g/mol
Exact mass
236.1062 Da
Melting point
150 °C
logP
2.84Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
120568-11-8
SMILES
Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIKey
VWOJMXKARYCRCC-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18)

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Names and synonyms

9 names
  • 2H-Tetrazole, 5-(4′-methyl[1,1′-biphenyl]-2-yl)-
  • 1H-Tetrazole, 5-(4′-methyl[1,1′-biphenyl]-2-yl)-
  • 5-(4′-Methyl[1,1′-biphenyl]-2-yl)-2H-tetrazole
  • 5-(4′-Methylbiphenyl-2-yl)tetrazole
  • 5-[2-(4′-Methylbiphenyl)]tetrazole
  • 2-(Tetrazol-5-yl)-4′-methyl-1,1′-biphenyl
  • L 158507
  • 5-(4′-Methyl-2-biphenyl)tetrazole
  • 5-(4′-Methylbiphenyl-2-yl)-1H-tetrazole

Work with 5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole

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-Methylphenyl)-2H-tetrazole24994-04-569 % similar 5-(2-Bromophenyl)-2H-tetrazole73096-42-153 % similar 5-Phenyltetrazole18039-42-450 % similar 5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-645 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-843 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-842 % similar 2-Cyano-4′-methylbiphenyl114772-53-141 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-640 % similar

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

Elsewhere

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