4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline

C16H9F3N4OS — CID 23380778

IUPAC4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESO=S(c1ccccc1)c1nc2ccccc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C16H9F3N4OS/c17-16(18,19)15-22-21-13-14(25(24)10-6-2-1-3-7-10)20-11-8-4-5-9-12(11)23(13)15/h1-9H
InChIKeyWOXZZXBSAFKQDS-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.46
Rot. Bonds2

About 4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline

4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 23380778) has the molecular formula C16H9F3N4OS and a molecular weight of 362.34 g/mol. Its IUPAC name is 4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID23380778
Molecular FormulaC16H9F3N4OS
Molecular Weight362.34 g/mol
Exact Mass362.04
IUPAC Name4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESO=S(c1ccccc1)c1nc2ccccc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C16H9F3N4OS/c17-16(18,19)15-22-21-13-14(25(24)10-6-2-1-3-7-10)20-11-8-4-5-9-12(11)23(13)15/h1-9H
InChIKeyWOXZZXBSAFKQDS-UHFFFAOYSA-N
XLogP3.46
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 13385730
4,4,4-trifluoro-3-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]butan-1-ol
CID 23380740
4-(1H-imidazol-2-ylsulfanyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 23380730
4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid
CID 23380767
4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoic acid
CID 20921364
4-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid
CID 23380673
8-chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1486608
1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 45106063
[4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol
CID 23380765
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
2-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
CID 646477
4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22432448

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 23380778) is 4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is O=S(c1ccccc1)c1nc2ccccc2n2c(C(F)(F)F)nnc12.
What is the InChIKey of 4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is WOXZZXBSAFKQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4OS/c17-16(18,19)15-22-21-13-14(25(24)10-6-2-1-3-7-10)20-11-8-4-5-9-12(11)23(13)15/h1-9H.
What are the key properties of 4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 362.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 23380778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).