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

C6H7F2N3S — CID 106678507

IUPAC3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SCC(F)F
InChIInChI=1S/C6H7F2N3S/c7-4(8)3-12-6-5(9)10-1-2-11-6/h1-2,4H,3H2,(H2,9,10)
InChIKeyDIBDXMQJUDLZIO-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.42
Rot. Bonds3

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

3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine (PubChem CID 106678507) has the molecular formula C6H7F2N3S and a molecular weight of 191.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine
PubChem CID106678507
Molecular FormulaC6H7F2N3S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Name3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SCC(F)F
InChIInChI=1S/C6H7F2N3S/c7-4(8)3-12-6-5(9)10-1-2-11-6/h1-2,4H,3H2,(H2,9,10)
InChIKeyDIBDXMQJUDLZIO-UHFFFAOYSA-N
XLogP1.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine?
The IUPAC name of 3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine (CID 106678507) is 3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine is Nc1nccnc1SCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine?
The InChIKey is DIBDXMQJUDLZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3S/c7-4(8)3-12-6-5(9)10-1-2-11-6/h1-2,4H,3H2,(H2,9,10).
What are the key properties of 3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine?
3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine has a molecular weight of 191.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 106678507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).