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

C11H5F3N4O3 — CID 10685457

IUPAC4-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)ccc3n2n1
InChIInChI=1S/C11H5F3N4O3/c12-11(13,14)4-1-2-6-5(3-4)15-9(19)8-16-7(10(20)21)17-18(6)8/h1-3H,(H,15,19)(H,20,21)
InChIKeyLKDLBWMHZDTSMM-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.29
Rot. Bonds1

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

4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 10685457) has the molecular formula C11H5F3N4O3 and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID10685457
Molecular FormulaC11H5F3N4O3
Molecular Weight298.18 g/mol
Exact Mass298.03
IUPAC Name4-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)ccc3n2n1
InChIInChI=1S/C11H5F3N4O3/c12-11(13,14)4-1-2-6-5(3-4)15-9(19)8-16-7(10(20)21)17-18(6)8/h1-3H,(H,15,19)(H,20,21)
InChIKeyLKDLBWMHZDTSMM-UHFFFAOYSA-N
XLogP1.29
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-ol
CID 3843652
2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10016491
Ethyl 4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10422626
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
Ethyl 8-methyl-4-oxo-4,5-dihydro-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11514585
8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405115
2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405123
[1,2,4]Triazolo[1,5-a]quinoxaline-2-carboxylic acid, 4,5-dihydro-4-oxo-
CID 10263231
4-Oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10639794
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

Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 10685457) is 4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 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)ccc3n2n1.
What is the InChIKey of 4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is LKDLBWMHZDTSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N4O3/c12-11(13,14)4-1-2-6-5(3-4)15-9(19)8-16-7(10(20)21)17-18(6)8/h1-3H,(H,15,19)(H,20,21).
What are the key properties of 4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 298.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 10685457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).