3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine

C8H10F3N3S — CID 106678852

IUPAC3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SCCCC(F)(F)F
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)2-1-5-15-7-6(12)13-3-4-14-7/h3-4H,1-2,5H2,(H2,12,13)
InChIKeyLFLBVXDGJNXBND-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.49
Rot. Bonds4

About 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine

3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine (PubChem CID 106678852) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine
PubChem CID106678852
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SCCCC(F)(F)F
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)2-1-5-15-7-6(12)13-3-4-14-7/h3-4H,1-2,5H2,(H2,12,13)
InChIKeyLFLBVXDGJNXBND-UHFFFAOYSA-N
XLogP2.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine?
The IUPAC name of 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine (CID 106678852) is 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine is Nc1nccnc1SCCCC(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine?
The InChIKey is LFLBVXDGJNXBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)2-1-5-15-7-6(12)13-3-4-14-7/h3-4H,1-2,5H2,(H2,12,13).
What are the key properties of 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine?
3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine has a molecular weight of 237.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 106678852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).