7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

C13H7ClN6O3 — CID 10903648

IUPAC7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccn4)cc3n2n1
InChIInChI=1S/C13H7ClN6O3/c14-6-4-7-9(5-8(6)19-3-1-2-15-19)20-11(12(21)16-7)17-10(18-20)13(22)23/h1-5H,(H,16,21)(H,22,23)
InChIKeyAUNOZCKVIWDKEK-UHFFFAOYSA-N
MW330.69 g/mol
LogP1.11
Rot. Bonds2

About 7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 10903648) has the molecular formula C13H7ClN6O3 and a molecular weight of 330.69 g/mol. Its IUPAC name is 7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID10903648
Molecular FormulaC13H7ClN6O3
Molecular Weight330.69 g/mol
Exact Mass330.03
IUPAC Name7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccn4)cc3n2n1
InChIInChI=1S/C13H7ClN6O3/c14-6-4-7-9(5-8(6)19-3-1-2-15-19)20-11(12(21)16-7)17-10(18-20)13(22)23/h1-5H,(H,16,21)(H,22,23)
InChIKeyAUNOZCKVIWDKEK-UHFFFAOYSA-N
XLogP1.11
TPSA118.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-chloro-4-oxo-8-pyrazol-1-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-chloro-8-(3-formylpyrrol-1-yl)-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10066934
7-Chloro-8-imidazol-1-yl-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10544449
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-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11724145
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
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
ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10642176
8-Amino-7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10869665
7-chloro-4-oxo-8-(1,2,4-triazol-1-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10871273
7-Chloro-4-oxo-8-pyrazol-1-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10959302
2-(7-Chloro-2-ethoxycarbonyl-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin-8-yl)-1-formyl-2H-pyrazol-1-ium
CID 44353214

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 10903648) is 7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccn4)cc3n2n1.
What is the InChIKey of 7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is AUNOZCKVIWDKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN6O3/c14-6-4-7-9(5-8(6)19-3-1-2-15-19)20-11(12(21)16-7)17-10(18-20)13(22)23/h1-5H,(H,16,21)(H,22,23).
What are the key properties of 7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 330.69 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-8-pyrazol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 10903648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).