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

C13H6F3N7O3 — CID 11303037

IUPAC4-oxo-8-(1,2,4-triazol-4-yl)-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(-n4cnnc4)cc3n2n1
InChIInChI=1S/C13H6F3N7O3/c14-13(15,16)5-1-6-8(2-7(5)22-3-17-18-4-22)23-10(11(24)19-6)20-9(21-23)12(25)26/h1-4H,(H,19,24)(H,25,26)
InChIKeyVRISTXPZDRSPLH-UHFFFAOYSA-N
MW365.23 g/mol
LogP0.87
Rot. Bonds2

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

4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 11303037) has the molecular formula C13H6F3N7O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID11303037
Molecular FormulaC13H6F3N7O3
Molecular Weight365.23 g/mol
Exact Mass365.05
IUPAC Name4-oxo-8-(1,2,4-triazol-4-yl)-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(-n4cnnc4)cc3n2n1
InChIInChI=1S/C13H6F3N7O3/c14-13(15,16)5-1-6-8(2-7(5)22-3-17-18-4-22)23-10(11(24)19-6)20-9(21-23)12(25)26/h1-4H,(H,19,24)(H,25,26)
InChIKeyVRISTXPZDRSPLH-UHFFFAOYSA-N
XLogP0.87
TPSA131.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-oxo-8-(1,2,4-triazol-4-yl)-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 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 11303037) is 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 4-oxo-8-(1,2,4-triazol-4-yl)-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(-n4cnnc4)cc3n2n1.
What is the InChIKey of 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is VRISTXPZDRSPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N7O3/c14-13(15,16)5-1-6-8(2-7(5)22-3-17-18-4-22)23-10(11(24)19-6)20-9(21-23)12(25)26/h1-4H,(H,19,24)(H,25,26).
What are the key properties of 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 365.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 11303037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).