1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine

C9H12F3N3O2 — CID 114983788

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESCOc1cnc(C(N)CC(F)(F)F)c(OC)n1
InChIInChI=1S/C9H12F3N3O2/c1-16-6-4-14-7(8(15-6)17-2)5(13)3-9(10,11)12/h4-5H,3,13H2,1-2H3
InChIKeyXKQWNWPHNRWXOQ-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.45
Rot. Bonds4

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

1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 114983788) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID114983788
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESCOc1cnc(C(N)CC(F)(F)F)c(OC)n1
InChIInChI=1S/C9H12F3N3O2/c1-16-6-4-14-7(8(15-6)17-2)5(13)3-9(10,11)12/h4-5H,3,13H2,1-2H3
InChIKeyXKQWNWPHNRWXOQ-UHFFFAOYSA-N
XLogP1.45
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216134
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
1-(3,5-dimethoxypyrazin-2-yl)-2-propoxyethanamine
CID 107946647
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
1-(3,5-dimethoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 105178270
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 105030849
3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
CID 112693379
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216137
(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105031257
1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine
CID 105178245
(3,5-dimethoxypyrazin-2-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 105178333

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine (CID 114983788) is 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine is COc1cnc(C(N)CC(F)(F)F)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is XKQWNWPHNRWXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-16-6-4-14-7(8(15-6)17-2)5(13)3-9(10,11)12/h4-5H,3,13H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine?
1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 251.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 114983788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).