3-(2-fluoroethylsulfanyl)pyrazin-2-amine

C6H8FN3S — CID 106678849

IUPAC3-(2-fluoroethylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SCCF
InChIInChI=1S/C6H8FN3S/c7-1-4-11-6-5(8)9-2-3-10-6/h2-3H,1,4H2,(H2,8,9)
InChIKeyINRWLGPGGKCMPR-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.12
Rot. Bonds3

About 3-(2-fluoroethylsulfanyl)pyrazin-2-amine

3-(2-fluoroethylsulfanyl)pyrazin-2-amine (PubChem CID 106678849) has the molecular formula C6H8FN3S and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(2-fluoroethylsulfanyl)pyrazin-2-amine
PubChem CID106678849
Molecular FormulaC6H8FN3S
Molecular Weight173.22 g/mol
Exact Mass173.04
IUPAC Name3-(2-fluoroethylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SCCF
InChIInChI=1S/C6H8FN3S/c7-1-4-11-6-5(8)9-2-3-10-6/h2-3H,1,4H2,(H2,8,9)
InChIKeyINRWLGPGGKCMPR-UHFFFAOYSA-N
XLogP1.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylsulfanyl)pyrazin-2-amine?
The IUPAC name of 3-(2-fluoroethylsulfanyl)pyrazin-2-amine (CID 106678849) is 3-(2-fluoroethylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 3-(2-fluoroethylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 3-(2-fluoroethylsulfanyl)pyrazin-2-amine is Nc1nccnc1SCCF.
What is the InChIKey of 3-(2-fluoroethylsulfanyl)pyrazin-2-amine?
The InChIKey is INRWLGPGGKCMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3S/c7-1-4-11-6-5(8)9-2-3-10-6/h2-3H,1,4H2,(H2,8,9).
What are the key properties of 3-(2-fluoroethylsulfanyl)pyrazin-2-amine?
3-(2-fluoroethylsulfanyl)pyrazin-2-amine has a molecular weight of 173.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 106678849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).