7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C15H20ClN3O — CID 86817962

IUPAC7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(CN1CCN2C(=O)NCC2C1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-11(12-3-2-4-13(16)7-12)9-18-5-6-19-14(10-18)8-17-15(19)20/h2-4,7,11,14H,5-6,8-10H2,1H3,(H,17,20)
InChIKeyOPJOLLJZURXOPC-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.15
Rot. Bonds3

About 7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 86817962) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID86817962
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(CN1CCN2C(=O)NCC2C1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-11(12-3-2-4-13(16)7-12)9-18-5-6-19-14(10-18)8-17-15(19)20/h2-4,7,11,14H,5-6,8-10H2,1H3,(H,17,20)
InChIKeyOPJOLLJZURXOPC-UHFFFAOYSA-N
XLogP2.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 86817962) is 7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(CN1CCN2C(=O)NCC2C1)c1cccc(Cl)c1.
What is the InChIKey of 7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is OPJOLLJZURXOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11(12-3-2-4-13(16)7-12)9-18-5-6-19-14(10-18)8-17-15(19)20/h2-4,7,11,14H,5-6,8-10H2,1H3,(H,17,20).
What are the key properties of 7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 293.80 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 86817962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).