3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine

C18H12N6 — CID 123260395

IUPAC3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nccnn4)n3)n2)nc1
InChIInChI=1S/C18H12N6/c1-2-10-19-13(5-1)14-6-3-7-15(22-14)16-8-4-9-17(23-16)18-20-11-12-21-24-18/h1-12H
InChIKeyOBEPUQVLNWZKAD-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.06
Rot. Bonds3

About 3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine

3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine (PubChem CID 123260395) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine.

Molecular Properties

Compound Name3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine
PubChem CID123260395
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nccnn4)n3)n2)nc1
InChIInChI=1S/C18H12N6/c1-2-10-19-13(5-1)14-6-3-7-15(22-14)16-8-4-9-17(23-16)18-20-11-12-21-24-18/h1-12H
InChIKeyOBEPUQVLNWZKAD-UHFFFAOYSA-N
XLogP3.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
Tt-301
CID 54576073
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
US10336761, Example 57
CID 135262410
3,5,6-Tri(pyridin-2-yl)-1,2,4-triazine
CID 473557
2,4-Bis(5,6-diphenyl-1,2,4-triazine-3-yl)pyridine
CID 118779
N-cyclohexyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404647
US10399985, Example 27
CID 118278230
N-benzyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404644
5,6-Diphenyl-3-pyridin-4-yl-1,2,4-triazine
CID 6409328
3-Phenyl-5-(2-pyridin-4-yl-pyrimidin-4-yl)-pyridazine
CID 10470703

Frequently Asked Questions

What is the IUPAC name of 3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine?
The IUPAC name of 3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine (CID 123260395) is 3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine.
What is the SMILES notation for 3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine?
The canonical SMILES for 3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine is c1ccc(-c2cccc(-c3cccc(-c4nccnn4)n3)n2)nc1.
What is the InChIKey of 3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine?
The InChIKey is OBEPUQVLNWZKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-2-10-19-13(5-1)14-6-3-7-15(22-14)16-8-4-9-17(23-16)18-20-11-12-21-24-18/h1-12H.
What are the key properties of 3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine?
3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine has a molecular weight of 312.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-1,2,4-triazine is sourced from PubChem (CID 123260395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).