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

C10H4Cl2N4O3 — CID 10357363

IUPAC7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n2n1
InChIInChI=1S/C10H4Cl2N4O3/c11-3-1-5-6(2-4(3)12)16-8(9(17)13-5)14-7(15-16)10(18)19/h1-2H,(H,13,17)(H,18,19)
InChIKeyGDAQQIJFABGZJS-UHFFFAOYSA-N
MW299.07 g/mol
LogP1.58
Rot. Bonds1

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

7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 10357363) has the molecular formula C10H4Cl2N4O3 and a molecular weight of 299.07 g/mol. Its IUPAC name is 7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID10357363
Molecular FormulaC10H4Cl2N4O3
Molecular Weight299.07 g/mol
Exact Mass297.97
IUPAC Name7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n2n1
InChIInChI=1S/C10H4Cl2N4O3/c11-3-1-5-6(2-4(3)12)16-8(9(17)13-5)14-7(15-16)10(18)19/h1-2H,(H,13,17)(H,18,19)
InChIKeyGDAQQIJFABGZJS-UHFFFAOYSA-N
XLogP1.58
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.07
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7,8-dichloro-4-oxo-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-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 9948141
7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10244065
Ethyl 8-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 44461607
7,9-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10566031
7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10635371
Ethyl 7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10661355
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10758555
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
9-amino-7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 25022525
1-Butyl-7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10086759
7,8-Dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10355707

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 10357363) is 7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n2n1.
What is the InChIKey of 7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is GDAQQIJFABGZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N4O3/c11-3-1-5-6(2-4(3)12)16-8(9(17)13-5)14-7(15-16)10(18)19/h1-2H,(H,13,17)(H,18,19).
What are the key properties of 7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 299.07 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 10357363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).