8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C12H7F3N4S — CID 23380641

IUPAC8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2c(Sc3ccccc3)nccn12
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)11-18-17-9-10(16-6-7-19(9)11)20-8-4-2-1-3-5-8/h1-7H
InChIKeySZLMSPPBTSQNCG-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.29
Rot. Bonds2

About 8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 23380641) has the molecular formula C12H7F3N4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID23380641
Molecular FormulaC12H7F3N4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2c(Sc3ccccc3)nccn12
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)11-18-17-9-10(16-6-7-19(9)11)20-8-4-2-1-3-5-8/h1-7H
InChIKeySZLMSPPBTSQNCG-UHFFFAOYSA-N
XLogP3.29
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 9861486
5-Methyl-8-(2-phenylethylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 9884265
8-(4-Fluorophenyl)sulfanyl-5-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 9949324
3,5-Difluoro-4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)sulfanyl]aniline
CID 64369740
3,5-Difluoro-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylsulfanyl)aniline
CID 64369741
6-Bromo-8-(2-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine
CID 79946316
6-Bromo-8-(2,5-difluorophenyl)sulfanylimidazo[1,2-a]pyrazine
CID 79946317
6-Bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine
CID 79946758
6-Bromo-8-(2,4-difluorophenyl)sulfanylimidazo[1,2-a]pyrazine
CID 79947396
6-Bromo-8-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyrazine
CID 79947481
6-Bromo-8-(3-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine
CID 80065924
8-(4-fluorophenyl)sulfanyl-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80869675

Frequently Asked Questions

What is the IUPAC name of 8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 23380641) is 8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2c(Sc3ccccc3)nccn12.
What is the InChIKey of 8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SZLMSPPBTSQNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S/c13-12(14,15)11-18-17-9-10(16-6-7-19(9)11)20-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 296.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 23380641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).