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150454-82-3 | [1,2,4]Triazolo[1,5-a]quinoxaline-2-carboxylic acid, 4,5-dihydro-4-oxo-
CAS No: 150454-82-3 Catalog No: AG001MMQ MDL No:MFCD28390420
Product Description
Catalog Number:
AG001MMQ
Chemical Name:
[1,2,4]Triazolo[1,5-a]quinoxaline-2-carboxylic acid, 4,5-dihydro-4-oxo-
CAS Number:
150454-82-3
Molecular Formula:
C10H6N4O3
Molecular Weight:
230.1796
MDL Number:
MFCD28390420
IUPAC Name:
4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
InChI:
InChI=1S/C10H6N4O3/c15-9-8-12-7(10(16)17)13-14(8)6-4-2-1-3-5(6)11-9/h1-4H,(H,11,15)(H,16,17)
InChI Key:
LVSGNONSJATCHN-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn2c(n1)c(=O)[nH]c1c2cccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.183g/mol
Monoisotopic Mass:
230.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of novel 9-heteroaryl substituted 7-chloro-4,5-dihydro-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylates (TQX) as (R,S)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic acid (AMPA) receptor antagonists. | Chemical & pharmaceutical bulletin 20080801 |
| 1,2,4-Triazolo[1,5-a]quinoxaline as a versatile tool for the design of selective human A3 adenosine receptor antagonists: synthesis, biological evaluation, and molecular modeling studies of 2-(hetero)aryl- and 2-carboxy-substituted derivatives. | Journal of medicinal chemistry 20051215 |
| Selectivity fields: comparative molecular field analysis (CoMFA) of the glycine/NMDA and AMPA receptors. | Journal of medicinal chemistry 20030911 |
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