5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine

C16H10N8 — CID 10914017

IUPAC5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine
SMILESc1ccc(-c2cnnc(-c3nncc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C16H10N8/c1-3-7-17-11(5-1)13-9-19-23-15(21-13)16-22-14(10-20-24-16)12-6-2-4-8-18-12/h1-10H
InChIKeyXQCDXGWAKFPFDL-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.85
Rot. Bonds3

About 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine

5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine (PubChem CID 10914017) has the molecular formula C16H10N8 and a molecular weight of 314.31 g/mol. Its IUPAC name is 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine
PubChem CID10914017
Molecular FormulaC16H10N8
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine
SMILESc1ccc(-c2cnnc(-c3nncc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C16H10N8/c1-3-7-17-11(5-1)13-9-19-23-15(21-13)16-22-14(10-20-24-16)12-6-2-4-8-18-12/h1-10H
InChIKeyXQCDXGWAKFPFDL-UHFFFAOYSA-N
XLogP1.85
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine with MolForge

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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
Imidazo[1,2-b]pyridazine deriv. 3
CID 6539042
US10399985, Example 29
CID 118278224
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

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine?
The IUPAC name of 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine (CID 10914017) is 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine.
What is the SMILES notation for 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine?
The canonical SMILES for 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine is c1ccc(-c2cnnc(-c3nncc(-c4ccccn4)n3)n2)nc1.
What is the InChIKey of 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine?
The InChIKey is XQCDXGWAKFPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N8/c1-3-7-17-11(5-1)13-9-19-23-15(21-13)16-22-14(10-20-24-16)12-6-2-4-8-18-12/h1-10H.
What are the key properties of 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine?
5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine has a molecular weight of 314.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-3-(5-pyridin-2-yl-1,2,4-triazin-3-yl)-1,2,4-triazine is sourced from PubChem (CID 10914017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).