1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C10H14F3N3O3 — CID 103216138

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1cnc(C(N)COCC(F)(F)F)c(OC)n1
InChIInChI=1S/C10H14F3N3O3/c1-17-7-3-15-8(9(16-7)18-2)6(14)4-19-5-10(11,12)13/h3,6H,4-5,14H2,1-2H3
InChIKeyNYGSXJIVWVZWFK-UHFFFAOYSA-N
MW281.23 g/mol
LogP1.07
Rot. Bonds6

About 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216138) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216138
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1cnc(C(N)COCC(F)(F)F)c(OC)n1
InChIInChI=1S/C10H14F3N3O3/c1-17-7-3-15-8(9(16-7)18-2)6(14)4-19-5-10(11,12)13/h3,6H,4-5,14H2,1-2H3
InChIKeyNYGSXJIVWVZWFK-UHFFFAOYSA-N
XLogP1.07
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Methoxypyrazin-2-yl)ethan-1-amine
CID 119094858
(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 59455302
(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine;hydrochloride
CID 68488662
1-[5-(2,2,2-Trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 72290042
1-(6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl)ethanamine hydrochloride
CID 89875210
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
2-ethoxy-3-[2-(trifluoromethyl)-1H-pyrazin-2-yl]pyrazine
CID 173928607
1-[6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 89875211
1-(3-methoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148360
N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148577
1-(3-methoxypyrazin-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148740

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216138) is 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is COc1cnc(C(N)COCC(F)(F)F)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is NYGSXJIVWVZWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-17-7-3-15-8(9(16-7)18-2)6(14)4-19-5-10(11,12)13/h3,6H,4-5,14H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 281.23 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).