[4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol

C17H11F3N4OS — CID 23380765

IUPAC[4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol
SMILESOCc1cccc2c1nc(Sc1ccccc1)c1nnc(C(F)(F)F)n12
InChIInChI=1S/C17H11F3N4OS/c18-17(19,20)16-23-22-14-15(26-11-6-2-1-3-7-11)21-13-10(9-25)5-4-8-12(13)24(14)16/h1-8,25H,9H2
InChIKeyOAIUESOAKCYRDW-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.94
Rot. Bonds3

About [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol

[4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol (PubChem CID 23380765) has the molecular formula C17H11F3N4OS and a molecular weight of 376.36 g/mol. Its IUPAC name is [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol.

Molecular Properties

Compound Name[4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol
PubChem CID23380765
Molecular FormulaC17H11F3N4OS
Molecular Weight376.36 g/mol
Exact Mass376.06
IUPAC Name[4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol
SMILESOCc1cccc2c1nc(Sc1ccccc1)c1nnc(C(F)(F)F)n12
InChIInChI=1S/C17H11F3N4OS/c18-17(19,20)16-23-22-14-15(26-11-6-2-1-3-7-11)21-13-10(9-25)5-4-8-12(13)24(14)16/h1-8,25H,9H2
InChIKeyOAIUESOAKCYRDW-UHFFFAOYSA-N
XLogP3.94
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol with MolForge

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Related Compounds

4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid
CID 23380767
8-chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1486608
3-[4-(4-fluorophenyl)sulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]propan-1-ol
CID 23380750
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
N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 13385730
4-(benzenesulfinyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 23380778
(E)-4-[[3-(trifluoromethyl)-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl]sulfanyl]but-2-en-1-ol
CID 23380695
5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol
CID 23380677
[6-(hydroxymethyl)phenazin-1-yl]methanol
CID 44607162
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
8-methyl-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline
CID 175421338

Frequently Asked Questions

What is the IUPAC name of [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol?
The IUPAC name of [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol (CID 23380765) is [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol.
What is the SMILES notation for [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol?
The canonical SMILES for [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol is OCc1cccc2c1nc(Sc1ccccc1)c1nnc(C(F)(F)F)n12.
What is the InChIKey of [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol?
The InChIKey is OAIUESOAKCYRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4OS/c18-17(19,20)16-23-22-14-15(26-11-6-2-1-3-7-11)21-13-10(9-25)5-4-8-12(13)24(14)16/h1-8,25H,9H2.
What are the key properties of [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol?
[4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol has a molecular weight of 376.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]methanol is sourced from PubChem (CID 23380765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).