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

C10H11F6N3O — CID 103312256

IUPAC3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1nccnc1OC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6N3O/c1-17-5(6-8(20-2)19-4-3-18-6)7(9(11,12)13)10(14,15)16/h3-5,7,17H,1-2H3
InChIKeyDQJUGMZCTSMPHI-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.49
Rot. Bonds4

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

3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312256) has the molecular formula C10H11F6N3O and a molecular weight of 303.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103312256
Molecular FormulaC10H11F6N3O
Molecular Weight303.21 g/mol
Exact Mass303.08
IUPAC Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1nccnc1OC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6N3O/c1-17-5(6-8(20-2)19-4-3-18-6)7(9(11,12)13)10(14,15)16/h3-5,7,17H,1-2H3
InChIKeyDQJUGMZCTSMPHI-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.49
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 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 103312256) is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine is CNC(c1nccnc1OC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is DQJUGMZCTSMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O/c1-17-5(6-8(20-2)19-4-3-18-6)7(9(11,12)13)10(14,15)16/h3-5,7,17H,1-2H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 303.21 g/mol, XLogP of 2.49, 4 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)-N-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).