5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol

C15H14F4N4OS — CID 23380677

IUPAC5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol
SMILESOCCCCCSc1nc2ccc(F)cc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C15H14F4N4OS/c16-9-4-5-10-11(8-9)23-12(21-22-14(23)15(17,18)19)13(20-10)25-7-3-1-2-6-24/h4-5,8,24H,1-3,6-7H2
InChIKeyMEUKTBRTXFQVHQ-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.69
Rot. Bonds6

About 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol

5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol (PubChem CID 23380677) has the molecular formula C15H14F4N4OS and a molecular weight of 374.36 g/mol. Its IUPAC name is 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol
PubChem CID23380677
Molecular FormulaC15H14F4N4OS
Molecular Weight374.36 g/mol
Exact Mass374.08
IUPAC Name5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol
SMILESOCCCCCSc1nc2ccc(F)cc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C15H14F4N4OS/c16-9-4-5-10-11(8-9)23-12(21-22-14(23)15(17,18)19)13(20-10)25-7-3-1-2-6-24/h4-5,8,24H,1-3,6-7H2
InChIKeyMEUKTBRTXFQVHQ-UHFFFAOYSA-N
XLogP3.69
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol with MolForge

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Related Compounds

3-[4-(4-fluorophenyl)sulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]propan-1-ol
CID 23380750
3-[4-(2-methylpropylsulfanyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]propan-1-ol
CID 23380818
4-[[5-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]sulfanyl]butan-1-ol
CID 23380612
8-bromo-4-(2-methylpropylsulfanyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 23380816
8-fluoro-N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 13385802
N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 23380883
[4-(2-methylpropylsulfanyl)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl]methanol
CID 23380837
[4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanamine
CID 23380875
4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid
CID 23380767
4,4,4-trifluoro-3-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]butan-1-ol
CID 23380740
8-chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1486608
5-(2,5-difluorophenyl)sulfanylpentan-1-ol
CID 62226939

Frequently Asked Questions

What is the IUPAC name of 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol?
The IUPAC name of 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol (CID 23380677) is 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol.
What is the SMILES notation for 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol?
The canonical SMILES for 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol is OCCCCCSc1nc2ccc(F)cc2n2c(C(F)(F)F)nnc12.
What is the InChIKey of 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol?
The InChIKey is MEUKTBRTXFQVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N4OS/c16-9-4-5-10-11(8-9)23-12(21-22-14(23)15(17,18)19)13(20-10)25-7-3-1-2-6-24/h4-5,8,24H,1-3,6-7H2.
What are the key properties of 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol?
5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol has a molecular weight of 374.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]pentan-1-ol is sourced from PubChem (CID 23380677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).