3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one

C11H12N4O2 — CID 135438297

IUPAC3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C11H12N4O2/c1-7-10(16)13-11(15-14-7)12-8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,12,13,15,16)
InChIKeyQVTNVJXBGOFVPE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.23
Rot. Bonds3

About 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one

3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135438297) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135438297
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C11H12N4O2/c1-7-10(16)13-11(15-14-7)12-8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,12,13,15,16)
InChIKeyQVTNVJXBGOFVPE-UHFFFAOYSA-N
XLogP1.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one (CID 135438297) is 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one is COc1ccc(Nc2nnc(C)c(=O)[nH]2)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is QVTNVJXBGOFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-10(16)13-11(15-14-7)12-8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,12,13,15,16).
What are the key properties of 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 232.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135438297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).