2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

C15H9FN4O — CID 10016491

IUPAC2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2nc(-c3ccccc3F)nc12
InChIInChI=1S/C15H9FN4O/c16-10-6-2-1-5-9(10)13-18-14-15(21)17-11-7-3-4-8-12(11)20(14)19-13/h1-8H,(H,17,21)
InChIKeyLXGNYYLHMBUTHS-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.38
Rot. Bonds1

About 2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (PubChem CID 10016491) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
PubChem CID10016491
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2nc(-c3ccccc3F)nc12
InChIInChI=1S/C15H9FN4O/c16-10-6-2-1-5-9(10)13-18-14-15(21)17-11-7-3-4-8-12(11)20(14)19-13/h1-8H,(H,17,21)
InChIKeyLXGNYYLHMBUTHS-UHFFFAOYSA-N
XLogP2.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135465884
2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736247
1-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-ol
CID 3843652
N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2082741
1-(4-Methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473223
1-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
CID 901348
N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2451137
N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4835789
8-chloro-2-(3-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 9972965
8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10425813
4-Oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10685457
4,5-Dihydro-5,8-dimethyl-2-phenyl-1,2,4-triazolo[1,5-a]quinoxalin-4-one
CID 11543839

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (CID 10016491) is 2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2ccccc2n2nc(-c3ccccc3F)nc12.
What is the InChIKey of 2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is LXGNYYLHMBUTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c16-10-6-2-1-5-9(10)13-18-14-15(21)17-11-7-3-4-8-12(11)20(14)19-13/h1-8H,(H,17,21).
What are the key properties of 2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 280.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10016491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).