3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine

C8H10F3N3S — CID 106430934

IUPAC3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
SMILESCc1nccnc1NCCSC(F)(F)F
InChIInChI=1S/C8H10F3N3S/c1-6-7(13-3-2-12-6)14-4-5-15-8(9,10)11/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyJGBLLZQPXSWISL-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.45
Rot. Bonds4

About 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine

3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine (PubChem CID 106430934) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
PubChem CID106430934
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
SMILESCc1nccnc1NCCSC(F)(F)F
InChIInChI=1S/C8H10F3N3S/c1-6-7(13-3-2-12-6)14-4-5-15-8(9,10)11/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyJGBLLZQPXSWISL-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 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 ≤ 52.45
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-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine (CID 106430934) is 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine is Cc1nccnc1NCCSC(F)(F)F.
What is the InChIKey of 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
The InChIKey is JGBLLZQPXSWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-6-7(13-3-2-12-6)14-4-5-15-8(9,10)11/h2-3H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine has a molecular weight of 237.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 106430934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).