3,5-Di(pyridin-4-yl)-4H-1,2,4-triazol-4-amine

C₁₂H₁₀N₆CAS 38634-05-8238.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₀N₆
Molar mass: 238.25 g/mol
Exact mass: 238.0967 Da
logP: 1.12Crippen estimate
Polar surface area: 82.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

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

Identifiers

CAS number

38634-05-8

SMILES

C1=CN=CC=C1C2=NN=C(N2N)C3=CC=NC=C3

InChIKey

HBXLKHXFCBAVDO-UHFFFAOYSA-N

InChI

InChI=1S/C12H10N6/c13-18-11(9-1-5-14-6-2-9)16-17-12(18)10-3-7-15-8-4-10/h1-8H,13H2

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Names and synonyms

1 names

3,5-Bis(pyridin-4-yl)-4-amino-1,2,4-triazole

Work with 3,5-Di(pyridin-4-yl)-4H-1,2,4-triazol-4-amine

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

4-Methyl-5-(pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol3652-32-245 % similar 4,4′-Bipyridine553-26-445 % similar 3,6-Di-4-pyridyl-1,2,4,5-tetrazine57654-36-144 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-743 % similar 4,4′-(1H-1,2,4-Triazole-3,5-diyl)bis[pyridine]4329-78-641 % similar 1,3,5-Tris(4-pyridyl)benzene170165-84-140 % similar 2,4,6-Tris(4-pyridyl)-1,3,5-triazine42333-78-838 % similar 4-Phenylpyridine939-23-138 % similar

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

Elsewhere

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