7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C11H14F3N3O3 — CID 146087094

IUPAC7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1NC(=O)N2CCN(C(=O)CCCC(F)(F)F)CC12
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)3-1-2-8(18)16-4-5-17-7(6-16)9(19)15-10(17)20/h7H,1-6H2,(H,15,19,20)
InChIKeyFMRMXNPHGPFFDB-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.48
Rot. Bonds3

About 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 146087094) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID146087094
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1NC(=O)N2CCN(C(=O)CCCC(F)(F)F)CC12
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)3-1-2-8(18)16-4-5-17-7(6-16)9(19)15-10(17)20/h7H,1-6H2,(H,15,19,20)
InChIKeyFMRMXNPHGPFFDB-UHFFFAOYSA-N
XLogP0.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 146087094) is 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is O=C1NC(=O)N2CCN(C(=O)CCCC(F)(F)F)CC12.
What is the InChIKey of 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is FMRMXNPHGPFFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c12-11(13,14)3-1-2-8(18)16-4-5-17-7(6-16)9(19)15-10(17)20/h7H,1-6H2,(H,15,19,20).
What are the key properties of 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 293.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,5,5-trifluoropentanoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 146087094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).