4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine

C9H12F3N3O — CID 104515914

IUPAC4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine
SMILESCOc1nccnc1C(N)CCC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-16-8-7(14-4-5-15-8)6(13)2-3-9(10,11)12/h4-6H,2-3,13H2,1H3
InChIKeyMREKHCZITWDQTM-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.83
Rot. Bonds4

About 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine

4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine (PubChem CID 104515914) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine
PubChem CID104515914
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine
SMILESCOc1nccnc1C(N)CCC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-16-8-7(14-4-5-15-8)6(13)2-3-9(10,11)12/h4-6H,2-3,13H2,1H3
InChIKeyMREKHCZITWDQTM-UHFFFAOYSA-N
XLogP1.83
TPSA61.03 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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-3-propylpyrazine
CID 528308
Pyrazine, 2-hexyl-3-methoxy
CID 528305
2-Butyl-3-methoxypyrazine
CID 528313
2-Methoxy-3-pentylpyrazine
CID 528321
Pyrazine, 2-decyl-3-methoxy
CID 528301
Pyrazine, 2-heptyl-3-methoxy
CID 528304
Pyrazine, 2-methoxy-3-(4-pentenyl)
CID 528307
Pyrazine, 3-methoxy-2-octyl
CID 528320
1-(3-Methoxypyrazin-2-yl)ethan-1-amine
CID 119094858
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

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine (CID 104515914) is 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine is COc1nccnc1C(N)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine?
The InChIKey is MREKHCZITWDQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-16-8-7(14-4-5-15-8)6(13)2-3-9(10,11)12/h4-6H,2-3,13H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine?
4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine has a molecular weight of 235.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-amine is sourced from PubChem (CID 104515914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).