chempirical

3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine

C20H14N4CAS 1046-56-6310.36 g/mol

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Properties

Molecular formula
C20H14N4
Molar mass
310.36 g/mol
Exact mass
310.1218 Da
Melting point
189–190 °C
logP
4.27Crippen estimate
Polar surface area
51.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
1046-56-6
SMILES
c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccccc2)cc1
InChIKey
OTMYLOBWDNFTLO-UHFFFAOYSA-N
InChI
InChI=1S/C20H14N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17/h1-14H

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Names and synonyms

11 names
  • 1,2,4-Triazine, 5,6-diphenyl-3-(2-pyridinyl)-
  • As-Triazine, 5,6-diphenyl-3-(2-pyridyl)-
  • 5,6-Diphenyl-3-(2-pyridinyl)-1,2,4-triazine
  • 5,6-Diphenyl-3-(pyridin-2-yl)-as-triazine
  • 5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine
  • PDT
  • Ferroprint
  • Ferrotrace
  • PDT (ligand)
  • NSC 242686
  • 3-(Pyridin-2-yl)-5,6-diphenyl-1,2,4-triazine

Work with 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine

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

Ferrospectral28048-33-160 % similar 2-Phenylpyridine1008-89-559 % similar 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine1671-87-059 % similar 2,4,6-Tris(2′-pyridyl)-1,3,5-triazine3682-35-753 % similar Ferrozine69898-45-952 % similar 2,4′-Bipyridine581-47-545 % similar 2,2′-Bipyridine366-18-745 % similar Terpyridine1148-79-444 % similar

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

Elsewhere

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