ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride

C12H21ClF3N3O — CID 145383147

IUPACethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride
SMILESCC.CCNC(C)COc1cnc(C(F)(F)F)cn1.Cl
InChIInChI=1S/C10H14F3N3O.C2H6.ClH/c1-3-14-7(2)6-17-9-5-15-8(4-16-9)10(11,12)13;1-2;/h4-5,7,14H,3,6H2,1-2H3;1-2H3;1H
InChIKeyGGFQEFUZRGGQJY-UHFFFAOYSA-N
MW315.77 g/mol
LogP3.32
Rot. Bonds5

About ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride

ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride (PubChem CID 145383147) has the molecular formula C12H21ClF3N3O and a molecular weight of 315.77 g/mol. Its IUPAC name is ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Nameethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride
PubChem CID145383147
Molecular FormulaC12H21ClF3N3O
Molecular Weight315.77 g/mol
Exact Mass315.13
IUPAC Nameethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride
SMILESCC.CCNC(C)COc1cnc(C(F)(F)F)cn1.Cl
InChIInChI=1S/C10H14F3N3O.C2H6.ClH/c1-3-14-7(2)6-17-9-5-15-8(4-16-9)10(11,12)13;1-2;/h4-5,7,14H,3,6H2,1-2H3;1-2H3;1H
InChIKeyGGFQEFUZRGGQJY-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-ethoxypyrazine
CID 104421
2-Methyl-6-propoxypyrazine
CID 100240
2-Methyl-5-ethoxypyrazine
CID 105758
(5-Ethoxypyrazin-2-yl)methanamine
CID 64287601
[5-(Propan-2-yloxy)pyrazin-2-yl]methanamine
CID 64287828
2-[5-(2,2-Difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane
CID 58303305
(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 59455302
5-(Difluoromethoxy)-2,3-dimethylpyrazine
CID 66869788
2-Methyl-5-(2,2,2-trifluoroethoxy)pyrazine
CID 68236301
(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine;hydrochloride
CID 68488662
2-(4-Fluorobut-2-ynoxy)-5-methylpyrazine
CID 70235062
1-[5-(2,2,2-Trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 72290042

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride?
The IUPAC name of ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride (CID 145383147) is ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride.
What is the SMILES notation for ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride?
The canonical SMILES for ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride is CC.CCNC(C)COc1cnc(C(F)(F)F)cn1.Cl.
What is the InChIKey of ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride?
The InChIKey is GGFQEFUZRGGQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O.C2H6.ClH/c1-3-14-7(2)6-17-9-5-15-8(4-16-9)10(11,12)13;1-2;/h4-5,7,14H,3,6H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride?
ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride has a molecular weight of 315.77 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-amine;hydrochloride is sourced from PubChem (CID 145383147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).