chempirical

5-(4-Methylphenyl)-2H-tetrazole

C8H8N4CAS 24994-04-5160.18 g/mol

Open in Covalent MOL file
NNNHN

Properties

Molecular formula
C8H8N4
Molar mass
160.18 g/mol
Exact mass
160.0749 Da
Melting point
248 °C
logP
1.18Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
24994-04-5
SMILES
Cc1ccc(-c2nn[nH]n2)cc1
InChIKey
BCCJIAZPYBJASR-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N4/c1-6-2-4-7(5-3-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)

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Names and synonyms

14 names · show all
  • 2H-Tetrazole, 5-(4-methylphenyl)-
  • 1H-Tetrazole, 5-p-tolyl-
  • 1H-Tetrazole, 5-(4-methylphenyl)-
  • 5-p-Tolyltetrazole
  • 5-(p-Methylphenyl)tetrazole
  • p-(Tetrazol-5-yl)toluene
  • 5-(4-Methylphenyl)-1H-tetrazole
  • 5-(4-Tolyl)-1H-tetrazole
  • NSC 141938
  • 5-(4-Methylphenyl)tetrazole
  • 5-(4-Methylphenyl)-1,2,3,4-tetrazole
  • 5-p-Tolyl-1H-tetrazole
  • 5-(4′-Methylphenyl)-1H-tetrazole
  • 5-(p-Tolyl)-2H-tetrazole

Work with 5-(4-Methylphenyl)-2H-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′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole120568-11-869 % similar 5-Phenyltetrazole18039-42-461 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-860 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-859 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-647 % similar 5-(3-Bromophenyl)-2H-tetrazole3440-99-144 % similar 5-(3-Aminophenyl)tetrazole73732-51-144 % similar 5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole175205-09-142 % similar

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

Same formula

N-(4-Cyanophenyl)guanidine5637-42-3 Hydralazine86-54-4

Elsewhere

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