3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine

C9H12F3N3O — CID 104515422

IUPAC3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1nccnc1OC
InChIInChI=1S/C9H12F3N3O/c1-13-6(5-9(10,11)12)7-8(16-2)15-4-3-14-7/h3-4,6,13H,5H2,1-2H3
InChIKeySIAHSSNGPBWVGT-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.70
Rot. Bonds4

About 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine

3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine (PubChem CID 104515422) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
PubChem CID104515422
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1nccnc1OC
InChIInChI=1S/C9H12F3N3O/c1-13-6(5-9(10,11)12)7-8(16-2)15-4-3-14-7/h3-4,6,13H,5H2,1-2H3
InChIKeySIAHSSNGPBWVGT-UHFFFAOYSA-N
XLogP1.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-3-propylpyrazine
CID 528308
2-Butyl-3-methoxypyrazine
CID 528313
1-(3-Methoxypyrazin-2-yl)ethan-1-amine
CID 119094858
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
[1-(3-Methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151435

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine (CID 104515422) is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine is CNC(CC(F)(F)F)c1nccnc1OC.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine?
The InChIKey is SIAHSSNGPBWVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-13-6(5-9(10,11)12)7-8(16-2)15-4-3-14-7/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine?
3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine has a molecular weight of 235.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 104515422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).