chempirical

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

C8H8N4OCAS 6926-51-8176.18 g/mol

Open in Covalent MOL file
ONNNHN
Ether

Properties

Molecular formula
C8H8N4O
Molar mass
176.18 g/mol
Exact mass
176.0698 Da
Melting point
231–232 °C
logP
0.88Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
6926-51-8
SMILES
COc1ccc(-c2nn[nH]n2)cc1
InChIKey
KZGGHPBTKGLWQL-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N4O/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)

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Names and synonyms

9 names
  • 2H-Tetrazole, 5-(4-methoxyphenyl)-
  • 1H-Tetrazole, 5-(p-methoxyphenyl)-
  • 1H-Tetrazole, 5-(4-methoxyphenyl)-
  • 5-(p-Methoxyphenyl)tetrazole
  • 5-(p-Methoxyphenyl)-1H-tetrazole
  • 5-(4-Methoxyphenyl)tetrazole
  • 5-p-Anisyltetrazole
  • 5-(4-Methoxyphenyl)-1H-tetrazole
  • NSC 206225

Work with 5-(4-Methoxyphenyl)-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-Methylphenyl)-2H-tetrazole24994-04-559 % similar 5-Phenyltetrazole18039-42-455 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-855 % similar 1,4-Dimethoxybenzene150-78-744 % similar 4-Methoxybiphenyl613-37-644 % similar 2-(P-Methoxyphenyl)-4,6-bis(trichloromethyl)-S-triazine3584-23-444 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-643 % similar 5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole120568-11-843 % similar

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

Elsewhere

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