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

C13H15N3O2 — CID 78524206

IUPAC2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1C2CNCCN2C(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15N3O2/c17-12-11-8-14-6-7-15(11)13(18)16(12)9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKeyJVDKCHTXGTYXAO-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.42
Rot. Bonds2

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

2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 78524206) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
PubChem CID78524206
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1C2CNCCN2C(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15N3O2/c17-12-11-8-14-6-7-15(11)13(18)16(12)9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKeyJVDKCHTXGTYXAO-UHFFFAOYSA-N
XLogP0.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione (CID 78524206) is 2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione is O=C1C2CNCCN2C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is JVDKCHTXGTYXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-11-8-14-6-7-15(11)13(18)16(12)9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2.
What are the key properties of 2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 245.28 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 78524206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).