6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

C15H11N5O3 — CID 11162647

IUPAC6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESNc1cccc2c1[nH]c(=O)c1nn(-c3ccc(O)cc3)c(=O)n12
InChIInChI=1S/C15H11N5O3/c16-10-2-1-3-11-12(10)17-14(22)13-18-20(15(23)19(11)13)8-4-6-9(21)7-5-8/h1-7,21H,16H2,(H,17,22)
InChIKeyKZMCSOWJVPFFRV-UHFFFAOYSA-N
MW309.29 g/mol
LogP0.61
Rot. Bonds1

About 6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (PubChem CID 11162647) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.

Molecular Properties

Compound Name6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
PubChem CID11162647
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Name6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESNc1cccc2c1[nH]c(=O)c1nn(-c3ccc(O)cc3)c(=O)n12
InChIInChI=1S/C15H11N5O3/c16-10-2-1-3-11-12(10)17-14(22)13-18-20(15(23)19(11)13)8-4-6-9(21)7-5-8/h1-7,21H,16H2,(H,17,22)
InChIKeyKZMCSOWJVPFFRV-UHFFFAOYSA-N
XLogP0.61
TPSA118.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-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-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The IUPAC name of 6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (CID 11162647) is 6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.
What is the SMILES notation for 6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The canonical SMILES for 6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is Nc1cccc2c1[nH]c(=O)c1nn(-c3ccc(O)cc3)c(=O)n12.
What is the InChIKey of 6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The InChIKey is KZMCSOWJVPFFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3/c16-10-2-1-3-11-12(10)17-14(22)13-18-20(15(23)19(11)13)8-4-6-9(21)7-5-8/h1-7,21H,16H2,(H,17,22).
What are the key properties of 6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione has a molecular weight of 309.29 g/mol, XLogP of 0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is sourced from PubChem (CID 11162647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).