5-Benzyl-1H-tetrazole

C₈H₈N₄CAS 18489-25-3160.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈N₄
Molar mass: 160.18 g/mol
Exact mass: 160.0749 Da
logP: 0.79Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
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 the 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

18489-25-3

SMILES

C1=CC=C(C=C1)CC2=NNN=N2

InChIKey

HHDRWGJJZGJSGZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N4/c1-2-4-7(5-3-1)6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-Benzyl-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-Benzylthio-1H-tetrazole21871-47-650 % similar 5-Phenyltetrazole18039-42-445 % similar Diphenylmethane101-81-544 % similar 5-Chloromethyl-1H-tetrazole55408-11-243 % similar 5-Triphenylmethyl-1H-tetrazole109652-10-041 % similar 5-(2-Chloroethyl)-2H-tetrazole18755-46-941 % similar 4-Benzylpyridine2116-65-640 % similar Tetrazole-5-acetic acid21743-75-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(4-Methylphenyl)-2H-tetrazole24994-04-5 N-(4-Cyanophenyl)guanidine5637-42-3 4-(1,2,4-Triazol-1-yl)aniline6523-49-5 Hydralazine86-54-4

Elsewhere

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