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

C11H16F3N3O3 — CID 103216134

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCOc1cnc(C(N)CCOCC(F)(F)F)c(OC)n1
InChIInChI=1S/C11H16F3N3O3/c1-18-8-5-16-9(10(17-8)19-2)7(15)3-4-20-6-11(12,13)14/h5,7H,3-4,6,15H2,1-2H3
InChIKeyUYTUWXGHFADWMV-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.46
Rot. Bonds7

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

1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103216134) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103216134
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCOc1cnc(C(N)CCOCC(F)(F)F)c(OC)n1
InChIInChI=1S/C11H16F3N3O3/c1-18-8-5-16-9(10(17-8)19-2)7(15)3-4-20-6-11(12,13)14/h5,7H,3-4,6,15H2,1-2H3
InChIKeyUYTUWXGHFADWMV-UHFFFAOYSA-N
XLogP1.46
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.46
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

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216137
1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine
CID 114983788
1-(3,5-dimethoxypyrazin-2-yl)-2-propoxyethanamine
CID 107946647
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
[1-(3,5-dimethoxypyrazin-2-yl)-3-propoxypropyl]hydrazine
CID 105332275
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103216140
1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 105030849
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
1-(2-chloro-4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207413
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783793
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103216134) is 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is COc1cnc(C(N)CCOCC(F)(F)F)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is UYTUWXGHFADWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-18-8-5-16-9(10(17-8)19-2)7(15)3-4-20-6-11(12,13)14/h5,7H,3-4,6,15H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 295.26 g/mol, XLogP of 1.46, 7 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)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103216134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).