3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine

C6H6F3N3S — CID 106678718

IUPAC3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SCC(F)(F)F
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)3-13-5-4(10)11-1-2-12-5/h1-2H,3H2,(H2,10,11)
InChIKeyLOEACYOQXFQOSP-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.71
Rot. Bonds2

About 3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine

3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine (PubChem CID 106678718) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine
PubChem CID106678718
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC Name3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SCC(F)(F)F
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)3-13-5-4(10)11-1-2-12-5/h1-2H,3H2,(H2,10,11)
InChIKeyLOEACYOQXFQOSP-UHFFFAOYSA-N
XLogP1.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine (CID 106678718) is 3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine is Nc1nccnc1SCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine?
The InChIKey is LOEACYOQXFQOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c7-6(8,9)3-13-5-4(10)11-1-2-12-5/h1-2H,3H2,(H2,10,11).
What are the key properties of 3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine?
3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine has a molecular weight of 209.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 106678718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).