Pyridine, 3-(1H-1,2,3-triazol-4-yl)- (9ci)

C₇H₆N₄CAS 120241-79-4146.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆N₄
Molar mass: 146.15 g/mol
Exact mass: 146.0592 Da
logP: 0.87Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

120241-79-4

SMILES

C1=CC(=CN=C1)C2=NNN=C2

InChIKey

VYXFEFOIYPNBFK-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N4/c1-2-6(4-8-3-1)7-5-9-11-10-7/h1-5H,(H,9,10,11)

Weigh it out

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

Names and synonyms

1 names

1,2,3-Triazole analogue, 27

Work with Pyridine, 3-(1H-1,2,3-triazol-4-yl)- (9ci)

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

3-(2H-Tetrazol-5-yl)pyridine3250-74-650 % similar 2,3′-Bipyridine581-50-050 % similar 1,3,5-Tri(M-pyrid-3-ylphenyl)benzene921205-03-045 % similar 3-(1H-Imidazol-5-yl)pyridine51746-85-144 % similar 3-(4-Bromophenyl)pyridine129013-83-841 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-738 % similar B-[4-(3-Pyridinyl)phenyl]boronic acid170230-28-138 % similar 3-(3-Pyridyl)benzaldehyde131231-24-836 % similar

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

Same formula

5-Phenyltetrazole18039-42-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook