4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid

C11H4ClF3N4O2 — CID 23380673

IUPAC4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid
SMILESO=C(O)c1ccc2nc(Cl)c3nnc(C(F)(F)F)n3c2c1
InChIInChI=1S/C11H4ClF3N4O2/c12-7-8-17-18-10(11(13,14)15)19(8)6-3-4(9(20)21)1-2-5(6)16-7/h1-3H,(H,20,21)
InChIKeyLMNFUZYWRHHURN-UHFFFAOYSA-N
MW316.63 g/mol
LogP2.65
Rot. Bonds1

About 4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid

4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid (PubChem CID 23380673) has the molecular formula C11H4ClF3N4O2 and a molecular weight of 316.63 g/mol. Its IUPAC name is 4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid
PubChem CID23380673
Molecular FormulaC11H4ClF3N4O2
Molecular Weight316.63 g/mol
Exact Mass316.00
IUPAC Name4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid
SMILESO=C(O)c1ccc2nc(Cl)c3nnc(C(F)(F)F)n3c2c1
InChIInChI=1S/C11H4ClF3N4O2/c12-7-8-17-18-10(11(13,14)15)19(8)6-3-4(9(20)21)1-2-5(6)16-7/h1-3H,(H,20,21)
InChIKeyLMNFUZYWRHHURN-UHFFFAOYSA-N
XLogP2.65
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid
CID 23380767
3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82791370
3-(2-amino-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82790528
8-chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1486608
N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 23380883
3-(1-hydroxypropan-2-yl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82790939
3-(3-methylbutyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82768907
3-(3,4-dichlorophenyl)benzotriazole-5-carboxylic acid
CID 82784404
3-(2,4,5-trichlorophenyl)benzotriazole-5-carboxylic acid
CID 82770771
2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842367
8-fluoro-N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 13385802
4-amino-1-bromoimidazo[1,5-a]quinoxaline-8-carboxylic acid
CID 171487754

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid?
The IUPAC name of 4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid (CID 23380673) is 4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid?
The canonical SMILES for 4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid is O=C(O)c1ccc2nc(Cl)c3nnc(C(F)(F)F)n3c2c1.
What is the InChIKey of 4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid?
The InChIKey is LMNFUZYWRHHURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF3N4O2/c12-7-8-17-18-10(11(13,14)15)19(8)6-3-4(9(20)21)1-2-5(6)16-7/h1-3H,(H,20,21).
What are the key properties of 4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid?
4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid has a molecular weight of 316.63 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid is sourced from PubChem (CID 23380673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).