3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine

C9H12F3N3S — CID 102809302

IUPAC3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCCSC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3S/c1-6-5-14-7(2)8(15-6)13-3-4-16-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,15)
InChIKeyYGOKYZKJPJJDLX-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.76
Rot. Bonds4

About 3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine

3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine (PubChem CID 102809302) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
PubChem CID102809302
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCCSC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3S/c1-6-5-14-7(2)8(15-6)13-3-4-16-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,15)
InChIKeyYGOKYZKJPJJDLX-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine (CID 102809302) is 3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine is Cc1cnc(C)c(NCCSC(F)(F)F)n1.
What is the InChIKey of 3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
The InChIKey is YGOKYZKJPJJDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-6-5-14-7(2)8(15-6)13-3-4-16-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine has a molecular weight of 251.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 102809302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).