2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C12H21N3O2 — CID 162790061

IUPAC2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CC2CN(C3CCOCC3)CCN2C1=O
InChIInChI=1S/C12H21N3O2/c1-13-8-11-9-14(4-5-15(11)12(13)16)10-2-6-17-7-3-10/h10-11H,2-9H2,1H3
InChIKeyGXPUFYQOVREDFK-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.22
Rot. Bonds1

About 2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 162790061) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID162790061
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CC2CN(C3CCOCC3)CCN2C1=O
InChIInChI=1S/C12H21N3O2/c1-13-8-11-9-14(4-5-15(11)12(13)16)10-2-6-17-7-3-10/h10-11H,2-9H2,1H3
InChIKeyGXPUFYQOVREDFK-UHFFFAOYSA-N
XLogP0.22
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 162790061) is 2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CN1CC2CN(C3CCOCC3)CCN2C1=O.
What is the InChIKey of 2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is GXPUFYQOVREDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-8-11-9-14(4-5-15(11)12(13)16)10-2-6-17-7-3-10/h10-11H,2-9H2,1H3.
What are the key properties of 2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 162790061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).