(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C13H23N3O2 — CID 75537136

IUPAC(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOCCN1C[C@H]2CN(C3CCC3)CCN2C1=O
InChIInChI=1S/C13H23N3O2/c1-18-8-7-15-10-12-9-14(11-3-2-4-11)5-6-16(12)13(15)17/h11-12H,2-10H2,1H3/t12-/m1/s1
InChIKeyZPAMKJACTKJOQS-GFCCVEGCSA-N
MW253.35 g/mol
LogP0.61
Rot. Bonds4

About (8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537136) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537136
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOCCN1C[C@H]2CN(C3CCC3)CCN2C1=O
InChIInChI=1S/C13H23N3O2/c1-18-8-7-15-10-12-9-14(11-3-2-4-11)5-6-16(12)13(15)17/h11-12H,2-10H2,1H3/t12-/m1/s1
InChIKeyZPAMKJACTKJOQS-GFCCVEGCSA-N
XLogP0.61
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537136) is (8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is COCCN1C[C@H]2CN(C3CCC3)CCN2C1=O.
What is the InChIKey of (8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZPAMKJACTKJOQS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-18-8-7-15-10-12-9-14(11-3-2-4-11)5-6-16(12)13(15)17/h11-12H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of (8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).