3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine

C29H17N13 — CID 15424694

IUPAC3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine
SMILESc1ccc(-c2cnnc(-c3cc(-c4nncc(-c5ccccn5)n4)nc(-c4nncc(-c5ccccn5)n4)c3)n2)nc1
InChIInChI=1S/C29H17N13/c1-4-10-30-19(7-1)24-15-33-40-27(37-24)18-13-22(28-38-25(16-34-41-28)20-8-2-5-11-31-20)36-23(14-18)29-39-26(17-35-42-29)21-9-3-6-12-32-21/h1-17H
InChIKeyJCWPDEANEVXXJN-UHFFFAOYSA-N
MW547.55 g/mol
LogP3.82
Rot. Bonds6

About 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine

3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine (PubChem CID 15424694) has the molecular formula C29H17N13 and a molecular weight of 547.55 g/mol. Its IUPAC name is 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine
PubChem CID15424694
Molecular FormulaC29H17N13
Molecular Weight547.55 g/mol
Exact Mass547.17
IUPAC Name3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine
SMILESc1ccc(-c2cnnc(-c3cc(-c4nncc(-c5ccccn5)n4)nc(-c4nncc(-c5ccccn5)n4)c3)n2)nc1
InChIInChI=1S/C29H17N13/c1-4-10-30-19(7-1)24-15-33-40-27(37-24)18-13-22(28-38-25(16-34-41-28)20-8-2-5-11-31-20)36-23(14-18)29-39-26(17-35-42-29)21-9-3-6-12-32-21/h1-17H
InChIKeyJCWPDEANEVXXJN-UHFFFAOYSA-N
XLogP3.82
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine with MolForge

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Launch Full Analysis

Related Compounds

2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)pyridine-4-carbonitrile
CID 11080220
3,5-dipyridin-2-ylpyridazine
CID 19065735
5-pyridin-2-yl-1,2,4-triazin-3-amine
CID 43134555
2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine
CID 157431820
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
CID 146551238
2,5-bis(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazole
CID 143438639
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine?
The IUPAC name of 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine (CID 15424694) is 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine?
The canonical SMILES for 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine is c1ccc(-c2cnnc(-c3cc(-c4nncc(-c5ccccn5)n4)nc(-c4nncc(-c5ccccn5)n4)c3)n2)nc1.
What is the InChIKey of 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine?
The InChIKey is JCWPDEANEVXXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N13/c1-4-10-30-19(7-1)24-15-33-40-27(37-24)18-13-22(28-38-25(16-34-41-28)20-8-2-5-11-31-20)36-23(14-18)29-39-26(17-35-42-29)21-9-3-6-12-32-21/h1-17H.
What are the key properties of 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine?
3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine has a molecular weight of 547.55 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine is sourced from PubChem (CID 15424694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).