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

C20H29N3O — CID 75368651

IUPAC(8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCc1ccccc1CN1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1
InChIInChI=1S/C20H29N3O/c1-16-7-5-6-8-17(16)13-21-11-12-22-19(14-21)15-23(20(22)24)18-9-3-2-4-10-18/h5-8,18-19H,2-4,9-15H2,1H3/t19-/m1/s1
InChIKeyNWIQGBLTEAQZOQ-LJQANCHMSA-N
MW327.47 g/mol
LogP3.25
Rot. Bonds3

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

(8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368651) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is (8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368651
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name(8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCc1ccccc1CN1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1
InChIInChI=1S/C20H29N3O/c1-16-7-5-6-8-17(16)13-21-11-12-22-19(14-21)15-23(20(22)24)18-9-3-2-4-10-18/h5-8,18-19H,2-4,9-15H2,1H3/t19-/m1/s1
InChIKeyNWIQGBLTEAQZOQ-LJQANCHMSA-N
XLogP3.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.25
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-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368651) is (8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is Cc1ccccc1CN1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1.
What is the InChIKey of (8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is NWIQGBLTEAQZOQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29N3O/c1-16-7-5-6-8-17(16)13-21-11-12-22-19(14-21)15-23(20(22)24)18-9-3-2-4-10-18/h5-8,18-19H,2-4,9-15H2,1H3/t19-/m1/s1.
What are the key properties of (8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 327.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).