6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine

C11H12F3N5S — CID 91651045

IUPAC6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
SMILESCc1nccn1-c1cncc(NCCSC(F)(F)F)n1
InChIInChI=1S/C11H12F3N5S/c1-8-16-2-4-19(8)10-7-15-6-9(18-10)17-3-5-20-11(12,13)14/h2,4,6-7H,3,5H2,1H3,(H,17,18)
InChIKeyZNDKKIPNJQPLDU-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.64
Rot. Bonds5

About 6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine

6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine (PubChem CID 91651045) has the molecular formula C11H12F3N5S and a molecular weight of 303.31 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
PubChem CID91651045
Molecular FormulaC11H12F3N5S
Molecular Weight303.31 g/mol
Exact Mass303.08
IUPAC Name6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
SMILESCc1nccn1-c1cncc(NCCSC(F)(F)F)n1
InChIInChI=1S/C11H12F3N5S/c1-8-16-2-4-19(8)10-7-15-6-9(18-10)17-3-5-20-11(12,13)14/h2,4,6-7H,3,5H2,1H3,(H,17,18)
InChIKeyZNDKKIPNJQPLDU-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine (CID 91651045) is 6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine is Cc1nccn1-c1cncc(NCCSC(F)(F)F)n1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
The InChIKey is ZNDKKIPNJQPLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5S/c1-8-16-2-4-19(8)10-7-15-6-9(18-10)17-3-5-20-11(12,13)14/h2,4,6-7H,3,5H2,1H3,(H,17,18).
What are the key properties of 6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine?
6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine has a molecular weight of 303.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 91651045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).