8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

C14H7F3N6O3 — CID 11740016

IUPAC8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4ccnc4)cc3n2n1
InChIInChI=1S/C14H7F3N6O3/c15-14(16,17)6-3-7-9(4-8(6)22-2-1-18-5-22)23-11(12(24)19-7)20-10(21-23)13(25)26/h1-5H,(H,19,24)(H,25,26)
InChIKeyOGYXLABVZQGQHU-UHFFFAOYSA-N
MW364.24 g/mol
LogP1.47
Rot. Bonds2

About 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 11740016) has the molecular formula C14H7F3N6O3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID11740016
Molecular FormulaC14H7F3N6O3
Molecular Weight364.24 g/mol
Exact Mass364.05
IUPAC Name8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4ccnc4)cc3n2n1
InChIInChI=1S/C14H7F3N6O3/c15-14(16,17)6-3-7-9(4-8(6)22-2-1-18-5-22)23-11(12(24)19-7)20-10(21-23)13(25)26/h1-5H,(H,19,24)(H,25,26)
InChIKeyOGYXLABVZQGQHU-UHFFFAOYSA-N
XLogP1.47
TPSA118.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[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

Frequently Asked Questions

What is the IUPAC name of 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 11740016) is 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is O=C(O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4ccnc4)cc3n2n1.
What is the InChIKey of 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is OGYXLABVZQGQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N6O3/c15-14(16,17)6-3-7-9(4-8(6)22-2-1-18-5-22)23-11(12(24)19-7)20-10(21-23)13(25)26/h1-5H,(H,19,24)(H,25,26).
What are the key properties of 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 364.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-yl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 11740016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).