3-(trifluoromethylsulfanyl)pyrazin-2-amine

C5H4F3N3S — CID 75406400

IUPAC3-(trifluoromethylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SC(F)(F)F
InChIInChI=1S/C5H4F3N3S/c6-5(7,8)12-4-3(9)10-1-2-11-4/h1-2H,(H2,9,10)
InChIKeyNTDSIXQAUAIZDJ-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.67
Rot. Bonds1

About 3-(trifluoromethylsulfanyl)pyrazin-2-amine

3-(trifluoromethylsulfanyl)pyrazin-2-amine (PubChem CID 75406400) has the molecular formula C5H4F3N3S and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-(trifluoromethylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(trifluoromethylsulfanyl)pyrazin-2-amine
PubChem CID75406400
Molecular FormulaC5H4F3N3S
Molecular Weight195.17 g/mol
Exact Mass195.01
IUPAC Name3-(trifluoromethylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SC(F)(F)F
InChIInChI=1S/C5H4F3N3S/c6-5(7,8)12-4-3(9)10-1-2-11-4/h1-2H,(H2,9,10)
InChIKeyNTDSIXQAUAIZDJ-UHFFFAOYSA-N
XLogP1.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfanyl)pyrazin-2-amine?
The IUPAC name of 3-(trifluoromethylsulfanyl)pyrazin-2-amine (CID 75406400) is 3-(trifluoromethylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 3-(trifluoromethylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 3-(trifluoromethylsulfanyl)pyrazin-2-amine is Nc1nccnc1SC(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfanyl)pyrazin-2-amine?
The InChIKey is NTDSIXQAUAIZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3S/c6-5(7,8)12-4-3(9)10-1-2-11-4/h1-2H,(H2,9,10).
What are the key properties of 3-(trifluoromethylsulfanyl)pyrazin-2-amine?
3-(trifluoromethylsulfanyl)pyrazin-2-amine has a molecular weight of 195.17 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 75406400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).