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

C₈H₈N₄OCAS 6926-51-8176.18 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-467 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-559 % similar 5-Phenyltetrazole18039-42-455 % similar 5-(4-Fluorophenyl)-1H-tetrazole50907-21-655 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-855 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-953 % similar 4,4'-Dimethoxybiphenyl2132-80-150 % similar 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole2251-79-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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