6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine

C10H11ClF3N3 — CID 66467105

IUPAC6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESFC(F)(F)CN(c1cncc(CCl)n1)C1CC1
InChIInChI=1S/C10H11ClF3N3/c11-3-7-4-15-5-9(16-7)17(8-1-2-8)6-10(12,13)14/h4-5,8H,1-3,6H2
InChIKeyXXIYKXOYLHZUKW-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.75
Rot. Bonds4

About 6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine

6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (PubChem CID 66467105) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
PubChem CID66467105
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESFC(F)(F)CN(c1cncc(CCl)n1)C1CC1
InChIInChI=1S/C10H11ClF3N3/c11-3-7-4-15-5-9(16-7)17(8-1-2-8)6-10(12,13)14/h4-5,8H,1-3,6H2
InChIKeyXXIYKXOYLHZUKW-UHFFFAOYSA-N
XLogP2.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (CID 66467105) is 6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is FC(F)(F)CN(c1cncc(CCl)n1)C1CC1.
What is the InChIKey of 6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The InChIKey is XXIYKXOYLHZUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c11-3-7-4-15-5-9(16-7)17(8-1-2-8)6-10(12,13)14/h4-5,8H,1-3,6H2.
What are the key properties of 6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine has a molecular weight of 265.67 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is sourced from PubChem (CID 66467105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).