(8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione

C12H19N3O2 — CID 7161702

IUPAC(8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1[C@H]2CNCCN2C(=O)N1C1CCCCC1
InChIInChI=1S/C12H19N3O2/c16-11-10-8-13-6-7-14(10)12(17)15(11)9-4-2-1-3-5-9/h9-10,13H,1-8H2/t10-/m1/s1
InChIKeyRXDWMYWHYVXXFD-SNVBAGLBSA-N
MW237.30 g/mol
LogP0.56
Rot. Bonds1

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

(8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 7161702) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
PubChem CID7161702
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1[C@H]2CNCCN2C(=O)N1C1CCCCC1
InChIInChI=1S/C12H19N3O2/c16-11-10-8-13-6-7-14(10)12(17)15(11)9-4-2-1-3-5-9/h9-10,13H,1-8H2/t10-/m1/s1
InChIKeyRXDWMYWHYVXXFD-SNVBAGLBSA-N
XLogP0.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione with MolForge

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Related Compounds

N-cyclohexyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
CID 4917364
N-cyclohexyl-2-(1,3-diethyl-2,5-dioxoimidazolidin-4-yl)acetamide
CID 2954390
N-cyclohexyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2109987
N-(cyclohexylcarbamoyl)-2-piperidin-1-ylacetamide
CID 2464024
Octahydroimidazolidino(1,5-a)pyridine-1,3-dione
CID 10654438
(8aR)-1,3-dioxo-N,2-di(propan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 7161700
1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione
CID 4072727
Octahydroimidazolidino(1,5-a)piperazine-1,3-dione hydrochloride
CID 72126129
1-[(3R,8S,8aS)-1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]-3-cyclohexylurea
CID 11865770
1,3,7-Trimethylhexahydro-1h-purine-2,6-dione
CID 220494
5-(2-Oxo-2-piperidylethyl)-1,3-diazolidine-2,4-dione
CID 4737187
2-Ethyl-octahydroimidazolidino[1,5-a]piperazine-1,3-dione hydrochloride
CID 71755552

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of (8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione (CID 7161702) is (8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for (8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione is O=C1[C@H]2CNCCN2C(=O)N1C1CCCCC1.
What is the InChIKey of (8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is RXDWMYWHYVXXFD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11-10-8-13-6-7-14(10)12(17)15(11)9-4-2-1-3-5-9/h9-10,13H,1-8H2/t10-/m1/s1.
What are the key properties of (8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
(8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 237.30 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 7161702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).