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

C7H6N4CAS 120241-79-4146.15 g/mol

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NNNHN

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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)

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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 3-(1H-Pyrazol-3-yl)pyridine45887-08-948 % similar 3-Phenylpyridine1008-88-448 % similar 4,4',4''-Tris[(3-methylphenyl)phenylamino]triphenylamine921205-03-045 % similar 3-(1H-Imidazol-5-yl)pyridine51746-85-144 % similar 4-(Pyridin-3-yl)pyrimidin-2-amine66521-66-243 % similar 3-(4-Bromophenyl)pyridine129013-83-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Phenyltetrazole18039-42-4

Elsewhere

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