2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

C9H12F3N3O — CID 107485748

IUPAC2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnccn1)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-15(3-4-16)6-8-5-13-1-2-14-8/h1-2,5,16H,3-4,6-7H2
InChIKeyIRPAIJHTZXDLAJ-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.83
Rot. Bonds5

About 2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485748) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485748
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnccn1)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-15(3-4-16)6-8-5-13-1-2-14-8/h1-2,5,16H,3-4,6-7H2
InChIKeyIRPAIJHTZXDLAJ-UHFFFAOYSA-N
XLogP0.83
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (CID 107485748) is 2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1cnccn1)CC(F)(F)F.
What is the InChIKey of 2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IRPAIJHTZXDLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)7-15(3-4-16)6-8-5-13-1-2-14-8/h1-2,5,16H,3-4,6-7H2.
What are the key properties of 2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 235.21 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).