6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine

C10H7F2N3S — CID 80646800

IUPAC6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine
SMILESNc1cncc(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H7F2N3S/c11-7-2-1-6(3-8(7)12)16-10-5-14-4-9(13)15-10/h1-5H,(H2,13,15)
InChIKeyCNDMRUOSVJHTHM-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.49
Rot. Bonds2

About 6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine

6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine (PubChem CID 80646800) has the molecular formula C10H7F2N3S and a molecular weight of 239.25 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine
PubChem CID80646800
Molecular FormulaC10H7F2N3S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine
SMILESNc1cncc(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H7F2N3S/c11-7-2-1-6(3-8(7)12)16-10-5-14-4-9(13)15-10/h1-5H,(H2,13,15)
InChIKeyCNDMRUOSVJHTHM-UHFFFAOYSA-N
XLogP2.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-difluorophenyl)sulfanylpyrazin-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 6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine (CID 80646800) is 6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine is Nc1cncc(Sc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine?
The InChIKey is CNDMRUOSVJHTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3S/c11-7-2-1-6(3-8(7)12)16-10-5-14-4-9(13)15-10/h1-5H,(H2,13,15).
What are the key properties of 6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine?
6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine has a molecular weight of 239.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 80646800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).