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

C₁₄H₁₂N₄CAS 120568-11-8236.28 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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)

Weigh it out

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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-(2-Chlorophenyl)-2H-1,2,3,4-tetrazole50907-46-551 % similar 5-(2-Iodophenyl)-1H-tetrazole73096-40-951 % similar 5-Phenyltetrazole18039-42-450 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-450 % similar 5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-645 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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