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

C13H23N3O — CID 75368649

IUPAC(8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1
InChIInChI=1S/C13H23N3O/c1-14-7-8-15-12(9-14)10-16(13(15)17)11-5-3-2-4-6-11/h11-12H,2-10H2,1H3/t12-/m1/s1
InChIKeyIPAANXFKLPYZRT-GFCCVEGCSA-N
MW237.35 g/mol
LogP1.37
Rot. Bonds1

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

(8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368649) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368649
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1
InChIInChI=1S/C13H23N3O/c1-14-7-8-15-12(9-14)10-16(13(15)17)11-5-3-2-4-6-11/h11-12H,2-10H2,1H3/t12-/m1/s1
InChIKeyIPAANXFKLPYZRT-GFCCVEGCSA-N
XLogP1.37
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368649) is (8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CN1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1.
What is the InChIKey of (8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is IPAANXFKLPYZRT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N3O/c1-14-7-8-15-12(9-14)10-16(13(15)17)11-5-3-2-4-6-11/h11-12H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of (8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 237.35 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-cyclohexyl-7-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).