2-methyl-5,6-diphenyl-1,2,4-triazin-3-one

C16H13N3O — CID 621854

IUPAC2-methyl-5,6-diphenyl-1,2,4-triazin-3-one
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C16H13N3O/c1-19-16(20)17-14(12-8-4-2-5-9-12)15(18-19)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyWOGIBIOGTSZHPZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.51
Rot. Bonds2

About 2-methyl-5,6-diphenyl-1,2,4-triazin-3-one

2-methyl-5,6-diphenyl-1,2,4-triazin-3-one (PubChem CID 621854) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-methyl-5,6-diphenyl-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-methyl-5,6-diphenyl-1,2,4-triazin-3-one
PubChem CID621854
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-methyl-5,6-diphenyl-1,2,4-triazin-3-one
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C16H13N3O/c1-19-16(20)17-14(12-8-4-2-5-9-12)15(18-19)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyWOGIBIOGTSZHPZ-UHFFFAOYSA-N
XLogP2.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-diphenyl-1,2,4-triazin-3-one?
The IUPAC name of 2-methyl-5,6-diphenyl-1,2,4-triazin-3-one (CID 621854) is 2-methyl-5,6-diphenyl-1,2,4-triazin-3-one.
What is the SMILES notation for 2-methyl-5,6-diphenyl-1,2,4-triazin-3-one?
The canonical SMILES for 2-methyl-5,6-diphenyl-1,2,4-triazin-3-one is Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O.
What is the InChIKey of 2-methyl-5,6-diphenyl-1,2,4-triazin-3-one?
The InChIKey is WOGIBIOGTSZHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-19-16(20)17-14(12-8-4-2-5-9-12)15(18-19)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of 2-methyl-5,6-diphenyl-1,2,4-triazin-3-one?
2-methyl-5,6-diphenyl-1,2,4-triazin-3-one has a molecular weight of 263.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-diphenyl-1,2,4-triazin-3-one is sourced from PubChem (CID 621854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).