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

C16H12N4O2 — CID 10803557

IUPAC2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESCc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1
InChIInChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)
InChIKeyXHVPSVUOSSODBL-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.64
Rot. Bonds1

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

2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (PubChem CID 10803557) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.

Molecular Properties

Compound Name2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
PubChem CID10803557
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESCc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1
InChIInChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)
InChIKeyXHVPSVUOSSODBL-UHFFFAOYSA-N
XLogP1.64
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylphenyl)-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 2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The IUPAC name of 2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (CID 10803557) is 2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.
What is the SMILES notation for 2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The canonical SMILES for 2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is Cc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The InChIKey is XHVPSVUOSSODBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21).
What are the key properties of 2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione has a molecular weight of 292.30 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is sourced from PubChem (CID 10803557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).