1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

C10H11F6N3O2 — CID 103312254

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESCOc1cnc(C(N)C(C(F)(F)F)C(F)(F)F)c(OC)n1
InChIInChI=1S/C10H11F6N3O2/c1-20-4-3-18-6(8(19-4)21-2)5(17)7(9(11,12)13)10(14,15)16/h3,5,7H,17H2,1-2H3
InChIKeyMPSTYIVSRBFZHO-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.23
Rot. Bonds4

About 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312254) has the molecular formula C10H11F6N3O2 and a molecular weight of 319.21 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103312254
Molecular FormulaC10H11F6N3O2
Molecular Weight319.21 g/mol
Exact Mass319.08
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESCOc1cnc(C(N)C(C(F)(F)F)C(F)(F)F)c(OC)n1
InChIInChI=1S/C10H11F6N3O2/c1-20-4-3-18-6(8(19-4)21-2)5(17)7(9(11,12)13)10(14,15)16/h3,5,7H,17H2,1-2H3
InChIKeyMPSTYIVSRBFZHO-UHFFFAOYSA-N
XLogP2.23
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Isobutyl-3-methoxypyrazine
CID 32594
3-Isobutyl-2-methoxy-6-methylpyrazine
CID 11550097
3-Methoxy-2,5-bis(2-methylpropyl)pyrazine
CID 11637154
2-Methoxy-5-methyl-3-(2-methylpropyl)pyrazine
CID 15841987
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
1-(3,5-Dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216134
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 103216136

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103312254) is 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is COc1cnc(C(N)C(C(F)(F)F)C(F)(F)F)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is MPSTYIVSRBFZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O2/c1-20-4-3-18-6(8(19-4)21-2)5(17)7(9(11,12)13)10(14,15)16/h3,5,7H,17H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 319.21 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).