5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C12H15F3N4S — CID 23380609

IUPAC5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1cnc(SCC(C)C)c2nnc(C(F)(F)F)n12
InChIInChI=1S/C12H15F3N4S/c1-4-8-5-16-10(20-6-7(2)3)9-17-18-11(19(8)9)12(13,14)15/h5,7H,4,6H2,1-3H3
InChIKeyFEBDDLFHTZABMP-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.45
Rot. Bonds4

About 5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 23380609) has the molecular formula C12H15F3N4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID23380609
Molecular FormulaC12H15F3N4S
Molecular Weight304.34 g/mol
Exact Mass304.10
IUPAC Name5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1cnc(SCC(C)C)c2nnc(C(F)(F)F)n12
InChIInChI=1S/C12H15F3N4S/c1-4-8-5-16-10(20-6-7(2)3)9-17-18-11(19(8)9)12(13,14)15/h5,7H,4,6H2,1-3H3
InChIKeyFEBDDLFHTZABMP-UHFFFAOYSA-N
XLogP3.45
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 23380609) is 5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CCc1cnc(SCC(C)C)c2nnc(C(F)(F)F)n12.
What is the InChIKey of 5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FEBDDLFHTZABMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4S/c1-4-8-5-16-10(20-6-7(2)3)9-17-18-11(19(8)9)12(13,14)15/h5,7H,4,6H2,1-3H3.
What are the key properties of 5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 304.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 23380609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).