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

C11H13F6N3O — CID 103312257

IUPACN-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine
SMILESCCNC(c1nccnc1OC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6N3O/c1-3-18-6(7-9(21-2)20-5-4-19-7)8(10(12,13)14)11(15,16)17/h4-6,8,18H,3H2,1-2H3
InChIKeyJLZKNTDTVDLCLZ-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.88
Rot. Bonds5

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

N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312257) has the molecular formula C11H13F6N3O and a molecular weight of 317.23 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103312257
Molecular FormulaC11H13F6N3O
Molecular Weight317.23 g/mol
Exact Mass317.10
IUPAC NameN-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine
SMILESCCNC(c1nccnc1OC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6N3O/c1-3-18-6(7-9(21-2)20-5-4-19-7)8(10(12,13)14)11(15,16)17/h4-6,8,18H,3H2,1-2H3
InChIKeyJLZKNTDTVDLCLZ-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.88
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
(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
2-ethoxy-3-[2-(trifluoromethyl)-1H-pyrazin-2-yl]pyrazine
CID 173928607
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine (CID 103312257) is N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine is CCNC(c1nccnc1OC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is JLZKNTDTVDLCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6N3O/c1-3-18-6(7-9(21-2)20-5-4-19-7)8(10(12,13)14)11(15,16)17/h4-6,8,18H,3H2,1-2H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine?
N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 317.23 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).