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

C10H10N4O2 — CID 135515938

IUPAC3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccccc2O)[nH]c1=O
InChIInChI=1S/C10H10N4O2/c1-6-9(16)12-10(14-13-6)11-7-4-2-3-5-8(7)15/h2-5,15H,1H3,(H2,11,12,14,16)
InChIKeyZPAKDBICYBWQCL-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.92
Rot. Bonds2

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

3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135515938) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135515938
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccccc2O)[nH]c1=O
InChIInChI=1S/C10H10N4O2/c1-6-9(16)12-10(14-13-6)11-7-4-2-3-5-8(7)15/h2-5,15H,1H3,(H2,11,12,14,16)
InChIKeyZPAKDBICYBWQCL-UHFFFAOYSA-N
XLogP0.92
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(2-hydroxyanilino)-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

Related Compounds

methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate
CID 135760934
3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135449637
3-(2,5-dichloroanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135514995
6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one
CID 135763969
N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
CID 135713561
3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135412294
3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135432564
6-tert-butyl-3-(2-methylanilino)-4H-1,2,4-triazin-5-one
CID 135416785
6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135541586
6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135800050
3-[2-chloro-5-(trifluoromethyl)anilino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135561118
2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611951

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one (CID 135515938) is 3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(Nc2ccccc2O)[nH]c1=O.
What is the InChIKey of 3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is ZPAKDBICYBWQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-9(16)12-10(14-13-6)11-7-4-2-3-5-8(7)15/h2-5,15H,1H3,(H2,11,12,14,16).
What are the key properties of 3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 218.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135515938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).