3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C13H19F3N2O2 — CID 79932732

IUPAC3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1CCC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-2-9-11(19)17-7-4-3-5-10(17)12(20)18(9)8-6-13(14,15)16/h9-10H,2-8H2,1H3
InChIKeyWBZUGVCHYBOBFC-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.94
Rot. Bonds3

About 3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79932732) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79932732
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1CCC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-2-9-11(19)17-7-4-3-5-10(17)12(20)18(9)8-6-13(14,15)16/h9-10H,2-8H2,1H3
InChIKeyWBZUGVCHYBOBFC-UHFFFAOYSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-(5,5,5-trifluoropentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 115522563
3-ethyl-2-pentyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932621
2-(cyclopentylmethyl)-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932299
3-ethyl-2-(3-methylbutyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944241
3-ethyl-2-[(1-methylpiperidin-2-yl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923195
2-tert-butyl-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932366
3-ethyl-2-(2-prop-2-ynylsulfanylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 106432981
2-(2,2-dicyclopropylethyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79925964
3-ethyl-2-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79926729
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923670
3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917326

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79932732) is 3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCCC2C(=O)N1CCC(F)(F)F.
What is the InChIKey of 3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is WBZUGVCHYBOBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-2-9-11(19)17-7-4-3-5-10(17)12(20)18(9)8-6-13(14,15)16/h9-10H,2-8H2,1H3.
What are the key properties of 3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 292.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79932732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).