3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C13H19F3N2O2 — CID 79932542

IUPAC3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCCC2C(=O)N1CC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-8(2)10-12(20)17-6-4-3-5-9(17)11(19)18(10)7-13(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyUXQZKPDMXZBKMM-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.80
Rot. Bonds2

About 3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79932542) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79932542
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCCC2C(=O)N1CC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-8(2)10-12(20)17-6-4-3-5-9(17)11(19)18(10)7-13(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyUXQZKPDMXZBKMM-UHFFFAOYSA-N
XLogP1.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79932542) is 3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC(C)C1C(=O)N2CCCCC2C(=O)N1CC(F)(F)F.
What is the InChIKey of 3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is UXQZKPDMXZBKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-8(2)10-12(20)17-6-4-3-5-9(17)11(19)18(10)7-13(14,15)16/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-propan-2-yl-2-(2,2,2-trifluoroethyl)-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 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79932542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).