5-(trifluoromethylsulfanyl)pyrazin-2-amine

C5H4F3N3S — CID 139417200

IUPAC5-(trifluoromethylsulfanyl)pyrazin-2-amine
SMILESNc1cnc(SC(F)(F)F)cn1
InChIInChI=1S/C5H4F3N3S/c6-5(7,8)12-4-2-10-3(9)1-11-4/h1-2H,(H2,9,10)
InChIKeyHKKCESVHOKYHFW-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.67
Rot. Bonds1

About 5-(trifluoromethylsulfanyl)pyrazin-2-amine

5-(trifluoromethylsulfanyl)pyrazin-2-amine (PubChem CID 139417200) has the molecular formula C5H4F3N3S and a molecular weight of 195.17 g/mol. Its IUPAC name is 5-(trifluoromethylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(trifluoromethylsulfanyl)pyrazin-2-amine
PubChem CID139417200
Molecular FormulaC5H4F3N3S
Molecular Weight195.17 g/mol
Exact Mass195.01
IUPAC Name5-(trifluoromethylsulfanyl)pyrazin-2-amine
SMILESNc1cnc(SC(F)(F)F)cn1
InChIInChI=1S/C5H4F3N3S/c6-5(7,8)12-4-2-10-3(9)1-11-4/h1-2H,(H2,9,10)
InChIKeyHKKCESVHOKYHFW-UHFFFAOYSA-N
XLogP1.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Methylthio)pyrazin-2-amine
CID 21897222
2-[2-(2,2,2-Trifluoroethyl)guanidino]-6-[(2-aminoethyl)-thio]pyrazine
CID 21298751
2-[2-(2,2,2-Trifluoroethyl)guanidino]-6-(3-aminopropylthio)pyrazine
CID 21298819
3-((Trifluoromethyl)thio)pyrazin-2-amine
CID 75406400
(3-Trifluoromethylsulfanyl-pyrazin-2-yl)-hydrazine
CID 75406405
2-Hydrazinyl-6-((trifluoromethyl)thio)pyrazine
CID 75530542
3-(2,2-Difluoroethylsulfanyl)pyrazin-2-amine
CID 106678507
3-(3,3,3-Trifluoropropylsulfanyl)pyrazin-2-amine
CID 106678523
3-[2-(Trifluoromethylsulfanyl)ethylsulfanyl]pyrazin-2-amine
CID 106678538
3-(2,2,2-Trifluoroethylsulfanyl)pyrazin-2-amine
CID 106678718
3-(2-Fluoroethylsulfanyl)pyrazin-2-amine
CID 106678849
3-(4,4,4-Trifluorobutylsulfanyl)pyrazin-2-amine
CID 106678852

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethylsulfanyl)pyrazin-2-amine?
The IUPAC name of 5-(trifluoromethylsulfanyl)pyrazin-2-amine (CID 139417200) is 5-(trifluoromethylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 5-(trifluoromethylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 5-(trifluoromethylsulfanyl)pyrazin-2-amine is Nc1cnc(SC(F)(F)F)cn1.
What is the InChIKey of 5-(trifluoromethylsulfanyl)pyrazin-2-amine?
The InChIKey is HKKCESVHOKYHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3S/c6-5(7,8)12-4-2-10-3(9)1-11-4/h1-2H,(H2,9,10).
What are the key properties of 5-(trifluoromethylsulfanyl)pyrazin-2-amine?
5-(trifluoromethylsulfanyl)pyrazin-2-amine has a molecular weight of 195.17 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 139417200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).