5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

C11H8N4O3 — CID 53213202

IUPAC5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESCn1c(=O)c2nc(C(=O)O)nn2c2ccccc21
InChIInChI=1S/C11H8N4O3/c1-14-6-4-2-3-5-7(6)15-9(10(14)16)12-8(13-15)11(17)18/h2-5H,1H3,(H,17,18)
InChIKeyVLFPIDIBSCMSRT-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.28
Rot. Bonds1

About 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 53213202) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID53213202
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESCn1c(=O)c2nc(C(=O)O)nn2c2ccccc21
InChIInChI=1S/C11H8N4O3/c1-14-6-4-2-3-5-7(6)15-9(10(14)16)12-8(13-15)11(17)18/h2-5H,1H3,(H,17,18)
InChIKeyVLFPIDIBSCMSRT-UHFFFAOYSA-N
XLogP0.28
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid 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

5-chloro-2-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 141277087
3-(5-methyl-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoic acid
CID 705418
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one
CID 53194342
S-(4-methyl-2-phenylpyrazolo[1,5-a]benzimidazol-3-yl) ethanethioate
CID 15740817
3-ethenyl-1-methylquinoxalin-2-one
CID 174761373
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023
8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
CID 101374170
3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one
CID 116985128
N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820800
3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one
CID 116985117
6-hydroxy-1,3-dimethyl-5-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methyl]pyrimidine-2,4-dione
CID 2314626

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 53213202) is 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is Cn1c(=O)c2nc(C(=O)O)nn2c2ccccc21.
What is the InChIKey of 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is VLFPIDIBSCMSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c1-14-6-4-2-3-5-7(6)15-9(10(14)16)12-8(13-15)11(17)18/h2-5H,1H3,(H,17,18).
What are the key properties of 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 53213202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).