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

C9H12F3N3O — CID 103215352

IUPACN-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cnccn1
InChIInChI=1S/C9H12F3N3O/c1-13-8(5-16-6-9(10,11)12)7-4-14-2-3-15-7/h2-4,8,13H,5-6H2,1H3
InChIKeyPMPOCKPOODDGME-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.32
Rot. Bonds5

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

N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215352) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215352
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cnccn1
InChIInChI=1S/C9H12F3N3O/c1-13-8(5-16-6-9(10,11)12)7-4-14-2-3-15-7/h2-4,8,13H,5-6H2,1H3
InChIKeyPMPOCKPOODDGME-UHFFFAOYSA-N
XLogP1.32
TPSA47.04 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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 146537710
1-[5-(2,2-difluoropropoxy)pyrazin-2-yl]-N-methylethanamine
CID 146538355
(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol
CID 171475088
N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55122186
N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62846087
N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63826777
Ethyl 2-pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)propanoate
CID 64188845
3,3,3-trifluoro-N-(1-pyrazin-2-ylethyl)propan-1-amine
CID 64190095
2-Pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 64190730
1-pyrazin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64191748
2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)ethanamine
CID 64196896
N-[(5-methylpyrazin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65806253

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215352) is N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1cnccn1.
What is the InChIKey of N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is PMPOCKPOODDGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-13-8(5-16-6-9(10,11)12)7-4-14-2-3-15-7/h2-4,8,13H,5-6H2,1H3.
What are the key properties of N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 235.21 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).