3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine

C8H10F3N3O — CID 104515421

IUPAC3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine
SMILESCOc1nccnc1C(N)CC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-15-7-6(13-2-3-14-7)5(12)4-8(9,10)11/h2-3,5H,4,12H2,1H3
InChIKeyICESULAJWARCNK-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.44
Rot. Bonds3

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

3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine (PubChem CID 104515421) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine
PubChem CID104515421
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine
SMILESCOc1nccnc1C(N)CC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-15-7-6(13-2-3-14-7)5(12)4-8(9,10)11/h2-3,5H,4,12H2,1H3
InChIKeyICESULAJWARCNK-UHFFFAOYSA-N
XLogP1.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Isobutyl-3-methoxypyrazine
CID 32594
2-Methoxy-3-(1-methylpropyl)pyrazine
CID 520098
2-Methoxy-3-propylpyrazine
CID 528308
2-Butyl-3-methoxypyrazine
CID 528313
Pyrazine, 2-methoxy-3-(4-pentenyl)
CID 528307
(s)-2-Methoxy-3-(1-methylpropyl)pyrazine
CID 6951559
1-(3-Methoxypyrazin-2-yl)ethan-1-amine
CID 119094858
2-[(2R)-butan-2-yl]-3-methoxypyrazine
CID 6951558
1-(6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl)ethanamine hydrochloride
CID 89875210
Ethane;2-ethyl-3-(trifluoromethoxy)pyrazine
CID 176552647
2-Methoxy-3-(2-methylprop-2-enyl)pyrazine
CID 16058662
1-[6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 89875211

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine (CID 104515421) is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine is COc1nccnc1C(N)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine?
The InChIKey is ICESULAJWARCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-15-7-6(13-2-3-14-7)5(12)4-8(9,10)11/h2-3,5H,4,12H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine?
3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-amine has a molecular weight of 221.18 g/mol, XLogP of 1.44, 3 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)propan-1-amine is sourced from PubChem (CID 104515421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).