2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione

C8H13N3O2 — CID 71755553

IUPAC2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
SMILESCCN1C(=O)C2CNCCN2C1=O
InChIInChI=1S/C8H13N3O2/c1-2-10-7(12)6-5-9-3-4-11(6)8(10)13/h6,9H,2-5H2,1H3
InChIKeySXPRZUFKMNJJGQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.76
Rot. Bonds1

About 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione

2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 71755553) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
PubChem CID71755553
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
SMILESCCN1C(=O)C2CNCCN2C1=O
InChIInChI=1S/C8H13N3O2/c1-2-10-7(12)6-5-9-3-4-11(6)8(10)13/h6,9H,2-5H2,1H3
InChIKeySXPRZUFKMNJJGQ-UHFFFAOYSA-N
XLogP-0.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione (CID 71755553) is 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione is CCN1C(=O)C2CNCCN2C1=O.
What is the InChIKey of 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is SXPRZUFKMNJJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-10-7(12)6-5-9-3-4-11(6)8(10)13/h6,9H,2-5H2,1H3.
What are the key properties of 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 183.21 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 71755553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).