5-(4-Pyridyl)-1H-tetrazole

C₆H₅N₅CAS 14389-12-9147.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅N₅
Molar mass: 147.14 g/mol
Exact mass: 147.0545 Da
logP: 0.26Crippen estimate
Polar surface area: 67.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

14389-12-9

SMILES

C1=CN=CC=C1C2=NNN=N2

InChIKey

JMILUUVWLRKJFB-UHFFFAOYSA-N

InChI

InChI=1S/C6H5N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)

Weigh it out

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

Work with 5-(4-Pyridyl)-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-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-474 % similar 5-Phenyltetrazole18039-42-465 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-559 % similar 5-(4-Fluorophenyl)-1H-tetrazole50907-21-659 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-859 % similar 3,6-Di-4-pyridyl-1,2,4,5-tetrazine57654-36-154 % similar 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole2251-79-853 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1H-1,2,4-Triazol-5-yl)pyrazine130612-31-6 3-(2H-Tetrazol-5-yl)pyridine3250-74-6 5-Amino-4-cyano-1H-pyrazole-3-acetonitrile54711-21-6

Elsewhere

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