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

C12H14N4O2 — CID 7213919

IUPAC5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCOc1ccc(Nc2nc(=O)[nH]nc2C)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)13-11-8(2)15-16-12(17)14-11/h4-7H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyICQDBVXYTCDRPN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.62
Rot. Bonds4

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

5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 7213919) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID7213919
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCOc1ccc(Nc2nc(=O)[nH]nc2C)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)13-11-8(2)15-16-12(17)14-11/h4-7H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyICQDBVXYTCDRPN-UHFFFAOYSA-N
XLogP1.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-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 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one (CID 7213919) is 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one is CCOc1ccc(Nc2nc(=O)[nH]nc2C)cc1.
What is the InChIKey of 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is ICQDBVXYTCDRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)13-11-8(2)15-16-12(17)14-11/h4-7H,3H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 246.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 7213919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).