6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine

C10H15F3N4S — CID 114188409

IUPAC6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCSC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4S/c1-2-3-15-8-6-14-7-9(17-8)16-4-5-18-10(11,12)13/h6-7H,2-5H2,1H3,(H2,15,16,17)
InChIKeyZGSJJWWFDAAPSC-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.96
Rot. Bonds7

About 6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine

6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine (PubChem CID 114188409) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine
PubChem CID114188409
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCSC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4S/c1-2-3-15-8-6-14-7-9(17-8)16-4-5-18-10(11,12)13/h6-7H,2-5H2,1H3,(H2,15,16,17)
InChIKeyZGSJJWWFDAAPSC-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine (CID 114188409) is 6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine is CCCNc1cncc(NCCSC(F)(F)F)n1.
What is the InChIKey of 6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine?
The InChIKey is ZGSJJWWFDAAPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-2-3-15-8-6-14-7-9(17-8)16-4-5-18-10(11,12)13/h6-7H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine?
6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine has a molecular weight of 280.32 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine is sourced from PubChem (CID 114188409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).