1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H18F3N3O3 — CID 103216137

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)c1ncc(OC)nc1OC
InChIInChI=1S/C12H18F3N3O3/c1-16-8(4-5-21-7-12(13,14)15)10-11(20-3)18-9(19-2)6-17-10/h6,8,16H,4-5,7H2,1-3H3
InChIKeyJWWAEFURIDKBGJ-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.72
Rot. Bonds8

About 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103216137) 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-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103216137
Molecular FormulaC12H18F3N3O3
Molecular Weight309.29 g/mol
Exact Mass309.13
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)c1ncc(OC)nc1OC
InChIInChI=1S/C12H18F3N3O3/c1-16-8(4-5-21-7-12(13,14)15)10-11(20-3)18-9(19-2)6-17-10/h6,8,16H,4-5,7H2,1-3H3
InChIKeyJWWAEFURIDKBGJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103216140
1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216134
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224
[1-(3,5-dimethoxypyrazin-2-yl)-3-propoxypropyl]hydrazine
CID 105332275
1-(3,5-dimethoxypyrazin-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 105031280
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 105030844
1-(3-methoxypyrazin-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216154
1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine
CID 114983788
2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine
CID 105031131
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178278
1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148227
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine
CID 107946650

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103216137) is 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNC(CCOCC(F)(F)F)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is JWWAEFURIDKBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O3/c1-16-8(4-5-21-7-12(13,14)15)10-11(20-3)18-9(19-2)6-17-10/h6,8,16H,4-5,7H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine 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-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103216137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).