4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)

C12H9N5CAS 4329-78-6223.24 g/mol

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NNNNHN

Properties

Molecular formula
C12H9N5
Molar mass
223.24 g/mol
Exact mass
223.0858 Da
Melting point
286–289 °C
logP
1.93Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

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
4329-78-6
SMILES
c1cc(-c2nnc(-c3ccncc3)[nH]2)ccn1
InChIKey
QUKGHTHKDNHSOX-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N5/c1-5-13-6-2-9(1)11-15-12(17-16-11)10-3-7-14-8-4-10/h1-8H,(H,15,16,17)

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Names and synonyms

11 names
  • 4,4′-(1H-1,2,4-Triazole-3,5-diyl)bis[pyridine]
  • Pyridine, 4,4′-(1H-1,2,4-triazole-3,5-diyl)bis-
  • 3,5-Bis(4-pyridyl)-1,2,4-triazole
  • 3,5-Bis(γ-pyridyl)-1H-1,2,4-triazole
  • 3,5-Bis(4-pyridyl)-1H-1,2,4-triazole
  • 3,5-Di(4-pyridinyl)-1,2,4-triazole
  • 1H-3,5-Di(4-pyridyl)-1,2,4-triazole
  • 1H-3,5-Bis(4-pyridyl)-1,2,4-triazole
  • 3,5-Bis(pyridin-4-yl)-1,2,4-triazole
  • Pyridine, 4,4′-s-triazole-3,5-diyldi-
  • 3,5-Di(4-pyridyl)-1,2,4-triazole

Work with 4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)

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

4,4′-Bipyridine553-26-456 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-753 % similar 3,6-Di-4-pyridyl-1,2,4,5-tetrazine57654-36-152 % similar 1,3,5-Tris(4-pyridyl)benzene170165-84-148 % similar 2-(4-Pyridyl)benzimidazole2208-59-546 % similar 2,4,6-Tris(4-pyridyl)-1,3,5-triazine42333-78-845 % similar 4-Phenylpyridine939-23-145 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile7152-40-1

Elsewhere

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