6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one

C16H13N3O — CID 67434182

IUPAC6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one
SMILESCc1ccc(-c2n[nH]c(=O)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H13N3O/c1-11-7-9-13(10-8-11)15-14(17-16(20)19-18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19,20)
InChIKeySJVGSESYRUZZIT-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.81
Rot. Bonds2

About 6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one

6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one (PubChem CID 67434182) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one
PubChem CID67434182
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one
SMILESCc1ccc(-c2n[nH]c(=O)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H13N3O/c1-11-7-9-13(10-8-11)15-14(17-16(20)19-18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19,20)
InChIKeySJVGSESYRUZZIT-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one (CID 67434182) is 6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one is Cc1ccc(-c2n[nH]c(=O)nc2-c2ccccc2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one?
The InChIKey is SJVGSESYRUZZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-7-9-13(10-8-11)15-14(17-16(20)19-18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19,20).
What are the key properties of 6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one?
6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one has a molecular weight of 263.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-5-phenyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 67434182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).