3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine

C12H10F3N3S — CID 106679214

IUPAC3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H10F3N3S/c13-12(14,15)9-4-2-1-3-8(9)7-19-11-10(16)17-5-6-18-11/h1-6H,7H2,(H2,16,17)
InChIKeyUNXGQDHHTHZWFK-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.37
Rot. Bonds3

About 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine

3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine (PubChem CID 106679214) has the molecular formula C12H10F3N3S and a molecular weight of 285.29 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine
PubChem CID106679214
Molecular FormulaC12H10F3N3S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H10F3N3S/c13-12(14,15)9-4-2-1-3-8(9)7-19-11-10(16)17-5-6-18-11/h1-6H,7H2,(H2,16,17)
InChIKeyUNXGQDHHTHZWFK-UHFFFAOYSA-N
XLogP3.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine (CID 106679214) is 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine is Nc1nccnc1SCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine?
The InChIKey is UNXGQDHHTHZWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3S/c13-12(14,15)9-4-2-1-3-8(9)7-19-11-10(16)17-5-6-18-11/h1-6H,7H2,(H2,16,17).
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine?
3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine has a molecular weight of 285.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106679214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).