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

C12H21N3O2 — CID 75368665

IUPAC(8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1
InChIInChI=1S/C12H21N3O2/c1-13-4-5-14-11(8-13)9-15(12(14)16)10-2-6-17-7-3-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyBAWHFQVPRKRFFI-LLVKDONJSA-N
MW239.32 g/mol
LogP0.22
Rot. Bonds1

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

(8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368665) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368665
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1
InChIInChI=1S/C12H21N3O2/c1-13-4-5-14-11(8-13)9-15(12(14)16)10-2-6-17-7-3-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyBAWHFQVPRKRFFI-LLVKDONJSA-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)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368665) is (8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CN1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1.
What is the InChIKey of (8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is BAWHFQVPRKRFFI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-4-5-14-11(8-13)9-15(12(14)16)10-2-6-17-7-3-10/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of (8aR)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-methyl-2-(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)-7-methyl-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).