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

C9H9F6N3O — CID 103312255

IUPAC3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine
SMILESCOc1nccnc1C(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3O/c1-19-7-5(17-2-3-18-7)4(16)6(8(10,11)12)9(13,14)15/h2-4,6H,16H2,1H3
InChIKeyWRSLUXCWCWCHCW-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.23
Rot. Bonds3

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

3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312255) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103312255
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine
SMILESCOc1nccnc1C(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3O/c1-19-7-5(17-2-3-18-7)4(16)6(8(10,11)12)9(13,14)15/h2-4,6H,16H2,1H3
InChIKeyWRSLUXCWCWCHCW-UHFFFAOYSA-N
XLogP2.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.23
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
Pyrazine, 2-isopentyl-3-methoxy
CID 528319
5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile
CID 528318
3-Isobutyl-2-methoxy-6-methylpyrazine
CID 11550097
3-Methoxy-2,5-bis(2-methylpropyl)pyrazine
CID 11637154
3-Methoxy-2-(1-methylpropyl)-5-(2-methylpropyl)pyrazine
CID 11579454
3-Methoxy-2-(1-methylethyl)-5-(2-methylpropyl) pyrazine
CID 11608158
2-Methoxy-3-pentan-2-ylpyrazine
CID 44327975
2-Methoxy-5-methyl-3-(2-methylpropyl)pyrazine
CID 15841987
(s)-2-Methoxy-3-(1-methylpropyl)pyrazine
CID 6951559
2-sec-Butyl-5-isobutyl-3-methoxypyrazine
CID 169491474

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine (CID 103312255) is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine is COc1nccnc1C(N)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is WRSLUXCWCWCHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c1-19-7-5(17-2-3-18-7)4(16)6(8(10,11)12)9(13,14)15/h2-4,6H,16H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 289.18 g/mol, XLogP of 2.23, 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)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).