2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one

C11H12N4O — CID 14173636

IUPAC2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one
SMILESCNc1nc(=O)c(-c2ccccc2)nn1C
InChIInChI=1S/C11H12N4O/c1-12-11-13-10(16)9(14-15(11)2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13,16)
InChIKeyKOAFNGARXFMIPH-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.88
Rot. Bonds2

About 2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one

2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one (PubChem CID 14173636) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one
PubChem CID14173636
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one
SMILESCNc1nc(=O)c(-c2ccccc2)nn1C
InChIInChI=1S/C11H12N4O/c1-12-11-13-10(16)9(14-15(11)2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13,16)
InChIKeyKOAFNGARXFMIPH-UHFFFAOYSA-N
XLogP0.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one (CID 14173636) is 2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one is CNc1nc(=O)c(-c2ccccc2)nn1C.
What is the InChIKey of 2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one?
The InChIKey is KOAFNGARXFMIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-12-11-13-10(16)9(14-15(11)2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13,16).
What are the key properties of 2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one?
2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one has a molecular weight of 216.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-6-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 14173636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).