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

C15H10F3N7O3 — CID 11269391

IUPACethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4cnnc4)cc3n2n1
InChIInChI=1S/C15H10F3N7O3/c1-2-28-14(27)11-22-12-13(26)21-8-3-7(15(16,17)18)9(24-5-19-20-6-24)4-10(8)25(12)23-11/h3-6H,2H2,1H3,(H,21,26)
InChIKeyZVFHSZJIWZKCRN-UHFFFAOYSA-N
MW393.29 g/mol
LogP1.35
Rot. Bonds3

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

ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (PubChem CID 11269391) has the molecular formula C15H10F3N7O3 and a molecular weight of 393.29 g/mol. Its IUPAC name is ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
PubChem CID11269391
Molecular FormulaC15H10F3N7O3
Molecular Weight393.29 g/mol
Exact Mass393.08
IUPAC Nameethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4cnnc4)cc3n2n1
InChIInChI=1S/C15H10F3N7O3/c1-2-28-14(27)11-22-12-13(26)21-8-3-7(15(16,17)18)9(24-5-19-20-6-24)4-10(8)25(12)23-11/h3-6H,2H2,1H3,(H,21,26)
InChIKeyZVFHSZJIWZKCRN-UHFFFAOYSA-N
XLogP1.35
TPSA120.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Imidazol-1-yl-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 11246323
4-Oxo-8-[1,2,4]triazol-4-yl-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11303037
4-Oxo-8-pyrrol-1-yl-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11451327
Ethyl 8-methyl-4-oxo-4,5-dihydro-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11514585
8-Imidazol-1-yl-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11740016
8-(3-Formyl-pyrrol-1-yl)-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 11774447
4-Oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10639794
4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10946414
8-Amino-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11324434
8-Amino-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 11348404
8-Nitro-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 11394627
4-Oxo-8-pyrrol-1-yl-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 11406664

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (CID 11269391) is ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is CCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4cnnc4)cc3n2n1.
What is the InChIKey of ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The InChIKey is ZVFHSZJIWZKCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7O3/c1-2-28-14(27)11-22-12-13(26)21-8-3-7(15(16,17)18)9(24-5-19-20-6-24)4-10(8)25(12)23-11/h3-6H,2H2,1H3,(H,21,26).
What are the key properties of ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate has a molecular weight of 393.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-8-(1,2,4-triazol-4-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 11269391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).