N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine

C9H12F3N3O — CID 146537710

IUPACN-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
SMILESCNC(C)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3O/c1-6(13-2)7-3-15-8(4-14-7)16-5-9(10,11)12/h3-4,6,13H,5H2,1-2H3
InChIKeyDJULGRXCVVSBGP-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.70
Rot. Bonds4

About N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine

N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine (PubChem CID 146537710) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
PubChem CID146537710
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
SMILESCNC(C)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3O/c1-6(13-2)7-3-15-8(4-14-7)16-5-9(10,11)12/h3-4,6,13H,5H2,1-2H3
InChIKeyDJULGRXCVVSBGP-UHFFFAOYSA-N
XLogP1.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine (CID 146537710) is N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine is CNC(C)c1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine?
The InChIKey is DJULGRXCVVSBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6(13-2)7-3-15-8(4-14-7)16-5-9(10,11)12/h3-4,6,13H,5H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine?
N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine has a molecular weight of 235.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine is sourced from PubChem (CID 146537710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).