3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde

C7H11N3O2 — CID 79095263

IUPAC3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde
SMILESO=CN1CCN2C(=O)NCC2C1
InChIInChI=1S/C7H11N3O2/c11-5-9-1-2-10-6(4-9)3-8-7(10)12/h5-6H,1-4H2,(H,8,12)
InChIKeyHESOAULTYPPCET-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.15
Rot. Bonds1

About 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde

3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde (PubChem CID 79095263) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde
PubChem CID79095263
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde
SMILESO=CN1CCN2C(=O)NCC2C1
InChIInChI=1S/C7H11N3O2/c11-5-9-1-2-10-6(4-9)3-8-7(10)12/h5-6H,1-4H2,(H,8,12)
InChIKeyHESOAULTYPPCET-UHFFFAOYSA-N
XLogP-1.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde 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 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde?
The IUPAC name of 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde (CID 79095263) is 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde.
What is the SMILES notation for 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde?
The canonical SMILES for 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde is O=CN1CCN2C(=O)NCC2C1.
What is the InChIKey of 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde?
The InChIKey is HESOAULTYPPCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-5-9-1-2-10-6(4-9)3-8-7(10)12/h5-6H,1-4H2,(H,8,12).
What are the key properties of 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde?
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde has a molecular weight of 169.18 g/mol, XLogP of -1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbaldehyde is sourced from PubChem (CID 79095263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).