2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine

C20H15N5 — CID 58261698

IUPAC2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H15N5/c1-14-8-10-15(11-9-14)18-23-19(16-6-2-4-12-21-16)25-20(24-18)17-7-3-5-13-22-17/h2-13H,1H3
InChIKeySZOPFIKRLMCVGF-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.97
Rot. Bonds3

About 2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine

2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 58261698) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID58261698
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H15N5/c1-14-8-10-15(11-9-14)18-23-19(16-6-2-4-12-21-16)25-20(24-18)17-7-3-5-13-22-17/h2-13H,1H3
InChIKeySZOPFIKRLMCVGF-UHFFFAOYSA-N
XLogP3.97
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine (CID 58261698) is 2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is SZOPFIKRLMCVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-14-8-10-15(11-9-14)18-23-19(16-6-2-4-12-21-16)25-20(24-18)17-7-3-5-13-22-17/h2-13H,1H3.
What are the key properties of 2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 325.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 58261698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).