4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C15H9FN4OS — CID 95915785

IUPAC4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1[nH]nc2c(Sc3cccc(F)c3)nc3ccccc3n12
InChIInChI=1S/C15H9FN4OS/c16-9-4-3-5-10(8-9)22-14-13-18-19-15(21)20(13)12-7-2-1-6-11(12)17-14/h1-8H,(H,19,21)
InChIKeyVMDYPOBBKDRQDS-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.86
Rot. Bonds2

About 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 95915785) has the molecular formula C15H9FN4OS and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID95915785
Molecular FormulaC15H9FN4OS
Molecular Weight312.33 g/mol
Exact Mass312.05
IUPAC Name4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1[nH]nc2c(Sc3cccc(F)c3)nc3ccccc3n12
InChIInChI=1S/C15H9FN4OS/c16-9-4-3-5-10(8-9)22-14-13-18-19-15(21)20(13)12-7-2-1-6-11(12)17-14/h1-8H,(H,19,21)
InChIKeyVMDYPOBBKDRQDS-UHFFFAOYSA-N
XLogP2.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one 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

1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile
CID 10750979
4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 46507230
8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 91576271
5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 114791314
3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one
CID 162371392
3,5-difluoro-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 114073919
N-(3-cyanophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 46329698
2-[4-(3-methoxyphenyl)sulfanyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-phenylacetamide
CID 50785881
4,19-difluoro-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2(7),3,5,9,11,13,15,17(22),18,20,24,26,28-tetradecaene;ethane
CID 145133212
N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50786003
3-[3-(hydroxymethyl)quinolin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63835072
3-[(3-fluorophenyl)methylsulfanyl]-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
CID 40689180

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 95915785) is 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1[nH]nc2c(Sc3cccc(F)c3)nc3ccccc3n12.
What is the InChIKey of 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is VMDYPOBBKDRQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4OS/c16-9-4-3-5-10(8-9)22-14-13-18-19-15(21)20(13)12-7-2-1-6-11(12)17-14/h1-8H,(H,19,21).
What are the key properties of 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 312.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 95915785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).