2,4,6-Tris(4-pyridyl)-1,3,5-triazine

C₁₈H₁₂N₆CAS 42333-78-8312.34 g/mol

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Properties

Molecular formula: C₁₈H₁₂N₆
Molar mass: 312.34 g/mol
Exact mass: 312.1123 Da
logP: 3.06Crippen estimate
Polar surface area: 77.3 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 3

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

42333-78-8

SMILES

C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4

InChIKey

CBMYFVSIIYILRH-UHFFFAOYSA-N

InChI

InChI=1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H

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Names and synonyms

1 names

2,4,6-Tri(4-pyridyl)-1,3,5-triazine

Work with 2,4,6-Tris(4-pyridyl)-1,3,5-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

3,6-Di-4-pyridyl-1,2,4,5-tetrazine57654-36-167 % similar 4,4′-Bipyridine553-26-463 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-759 % similar 1,3,5-Tris(4-pyridyl)benzene170165-84-153 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-653 % similar 4-Phenylpyridine939-23-150 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-948 % similar 2,4,6-Tribiphenyl-4-yl-1,3,5-triazine31274-51-848 % similar

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

Same formula

2,4,6-Tris(2′-pyridyl)-1,3,5-triazine3682-35-7

Elsewhere

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