6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione

C11H12N4O3 — CID 82554368

IUPAC6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione
SMILESNc1ccccc1-c1nn(CCO)c(=O)[nH]c1=O
InChIInChI=1S/C11H12N4O3/c12-8-4-2-1-3-7(8)9-10(17)13-11(18)15(14-9)5-6-16/h1-4,16H,5-6,12H2,(H,13,17,18)
InChIKeyKKUQPFGHXYNPPX-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.83
Rot. Bonds3

About 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione

6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione (PubChem CID 82554368) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione
PubChem CID82554368
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione
SMILESNc1ccccc1-c1nn(CCO)c(=O)[nH]c1=O
InChIInChI=1S/C11H12N4O3/c12-8-4-2-1-3-7(8)9-10(17)13-11(18)15(14-9)5-6-16/h1-4,16H,5-6,12H2,(H,13,17,18)
InChIKeyKKUQPFGHXYNPPX-UHFFFAOYSA-N
XLogP-0.83
TPSA114.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione 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 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione (CID 82554368) is 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione is Nc1ccccc1-c1nn(CCO)c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione?
The InChIKey is KKUQPFGHXYNPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c12-8-4-2-1-3-7(8)9-10(17)13-11(18)15(14-9)5-6-16/h1-4,16H,5-6,12H2,(H,13,17,18).
What are the key properties of 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione?
6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione has a molecular weight of 248.24 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminophenyl)-2-(2-hydroxyethyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 82554368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).