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

C12H21N3O2 — CID 86769018

IUPAC(8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1C[C@H]2CN(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/t11-/m0/s1
InChIKeyGXPUFYQOVREDFK-NSHDSACASA-N
MW239.32 g/mol
LogP0.22
Rot. Bonds1

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

(8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 86769018) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID86769018
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1C[C@H]2CN(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/t11-/m0/s1
InChIKeyGXPUFYQOVREDFK-NSHDSACASA-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 (8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 86769018) is (8aR)-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 (8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CN1C[C@H]2CN(C3CCOCC3)CCN2C1=O.
What is the InChIKey of (8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is GXPUFYQOVREDFK-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-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 (8aR)-2-methyl-7-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 86769018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).