chempirical

4,4′-(1H-1,2,4-Triazole-3,5-diyl)bis[pyridine]

C12H9N5CAS 4329-78-6223.24 g/mol

Open in Covalent MOL file
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

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

Names and synonyms

10 names
  • 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 4-Phenylpyridine939-23-145 % similar 4-Pyridineethanamine13258-63-440 % similar 4-(4-Bromophenyl)pyridine39795-60-340 % similar Tetra(4-pyridyl)porphyrin16834-13-239 % similar 2,4′-Bipyridine581-47-537 % similar 1,2-Bis(4-pyridyl)ethane4916-57-836 % 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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