2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C13H17N3O — CID 54775508

IUPAC2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccccc2)CC2CNCCN12
InChIInChI=1S/C13H17N3O/c17-13-15(9-11-4-2-1-3-5-11)10-12-8-14-6-7-16(12)13/h1-5,12,14H,6-10H2
InChIKeyRHXMTUGPBOYRIC-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.90
Rot. Bonds2

About 2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 54775508) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID54775508
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccccc2)CC2CNCCN12
InChIInChI=1S/C13H17N3O/c17-13-15(9-11-4-2-1-3-5-11)10-12-8-14-6-7-16(12)13/h1-5,12,14H,6-10H2
InChIKeyRHXMTUGPBOYRIC-UHFFFAOYSA-N
XLogP0.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 54775508) is 2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1N(Cc2ccccc2)CC2CNCCN12.
What is the InChIKey of 2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is RHXMTUGPBOYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13-15(9-11-4-2-1-3-5-11)10-12-8-14-6-7-16(12)13/h1-5,12,14H,6-10H2.
What are the key properties of 2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 231.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 54775508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).