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

C12H18F3N3O3 — CID 103216135

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1ncc(OC)nc1OC
InChIInChI=1S/C12H18F3N3O3/c1-4-16-8(6-21-7-12(13,14)15)10-11(20-3)18-9(19-2)5-17-10/h5,8,16H,4,6-7H2,1-3H3
InChIKeyDODSQNSWKGEHCN-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.72
Rot. Bonds8

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

1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216135) has the molecular formula C12H18F3N3O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216135
Molecular FormulaC12H18F3N3O3
Molecular Weight309.29 g/mol
Exact Mass309.13
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1ncc(OC)nc1OC
InChIInChI=1S/C12H18F3N3O3/c1-4-16-8(6-21-7-12(13,14)15)10-11(20-3)18-9(19-2)5-17-10/h5,8,16H,4,6-7H2,1-3H3
InChIKeyDODSQNSWKGEHCN-UHFFFAOYSA-N
XLogP1.72
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Methoxypyrazin-2-yl)ethan-1-amine
CID 119094858
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
3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103149316
3-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)propan-1-amine
CID 103149654
3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine
CID 103149941

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216135) is 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is DODSQNSWKGEHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O3/c1-4-16-8(6-21-7-12(13,14)15)10-11(20-3)18-9(19-2)5-17-10/h5,8,16H,4,6-7H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 309.29 g/mol, XLogP of 1.72, 8 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)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).