5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one

C10H10N4O2 — CID 135771766

IUPAC5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one
SMILESCc1ccc(Nc2cn[nH]c(=O)n2)c(O)c1
InChIInChI=1S/C10H10N4O2/c1-6-2-3-7(8(15)4-6)12-9-5-11-14-10(16)13-9/h2-5,15H,1H3,(H2,12,13,14,16)
InChIKeyMKIZKYCCPIWIQR-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.92
Rot. Bonds2

About 5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one

5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one (PubChem CID 135771766) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one
PubChem CID135771766
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one
SMILESCc1ccc(Nc2cn[nH]c(=O)n2)c(O)c1
InChIInChI=1S/C10H10N4O2/c1-6-2-3-7(8(15)4-6)12-9-5-11-14-10(16)13-9/h2-5,15H,1H3,(H2,12,13,14,16)
InChIKeyMKIZKYCCPIWIQR-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 5-(2-hydroxy-4-methylanilino)-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-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one (CID 135771766) is 5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one is Cc1ccc(Nc2cn[nH]c(=O)n2)c(O)c1.
What is the InChIKey of 5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one?
The InChIKey is MKIZKYCCPIWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-2-3-7(8(15)4-6)12-9-5-11-14-10(16)13-9/h2-5,15H,1H3,(H2,12,13,14,16).
What are the key properties of 5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one?
5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-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 5-(2-hydroxy-4-methylanilino)-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 135771766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).