7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

C12H6ClN7O3 — CID 25022523

IUPAC7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(Cl)cc(-n4cnnc4)c3n2n1
InChIInChI=1S/C12H6ClN7O3/c13-5-1-6-8(7(2-5)19-3-14-15-4-19)20-10(11(21)16-6)17-9(18-20)12(22)23/h1-4H,(H,16,21)(H,22,23)
InChIKeyVUYXWDSZUHMHRT-UHFFFAOYSA-N
MW331.68 g/mol
LogP0.50
Rot. Bonds2

About 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 25022523) has the molecular formula C12H6ClN7O3 and a molecular weight of 331.68 g/mol. Its IUPAC name is 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID25022523
Molecular FormulaC12H6ClN7O3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Name7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(Cl)cc(-n4cnnc4)c3n2n1
InChIInChI=1S/C12H6ClN7O3/c13-5-1-6-8(7(2-5)19-3-14-15-4-19)20-10(11(21)16-6)17-9(18-20)12(22)23/h1-4H,(H,16,21)(H,22,23)
InChIKeyVUYXWDSZUHMHRT-UHFFFAOYSA-N
XLogP0.50
TPSA131.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid with MolForge

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Related Compounds

Tqx-173
CID 9840540
7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10244065
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10357363
7-Chloro-8-imidazol-1-yl-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10544449
7,9-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10566031
ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10570475
7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10635371
7-Chloro-4-oxo-8-pyrazol-1-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10903648
7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11724145
9-amino-7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 25022525
2-(2-Carboxy-7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin-8-yl)-1-formyl-2H-pyrazol-1-ium
CID 44353216
7,9-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10264324

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 25022523) is 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is O=C(O)c1nc2c(=O)[nH]c3cc(Cl)cc(-n4cnnc4)c3n2n1.
What is the InChIKey of 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is VUYXWDSZUHMHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN7O3/c13-5-1-6-8(7(2-5)19-3-14-15-4-19)20-10(11(21)16-6)17-9(18-20)12(22)23/h1-4H,(H,16,21)(H,22,23).
What are the key properties of 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 331.68 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 25022523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).