5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one

C6H9N3O — CID 129116728

IUPAC5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one
SMILESO=C1NCCN2C=CNC12
InChIInChI=1S/C6H9N3O/c10-6-5-7-1-3-9(5)4-2-8-6/h1,3,5,7H,2,4H2,(H,8,10)
InChIKeyPMEKEXSTTUKJMT-UHFFFAOYSA-N
MW139.16 g/mol
LogP-1.18
Rot. Bonds

About 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one

5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one (PubChem CID 129116728) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one
PubChem CID129116728
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one
SMILESO=C1NCCN2C=CNC12
InChIInChI=1S/C6H9N3O/c10-6-5-7-1-3-9(5)4-2-8-6/h1,3,5,7H,2,4H2,(H,8,10)
InChIKeyPMEKEXSTTUKJMT-UHFFFAOYSA-N
XLogP-1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one 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 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one (CID 129116728) is 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one is O=C1NCCN2C=CNC12.
What is the InChIKey of 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one?
The InChIKey is PMEKEXSTTUKJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-6-5-7-1-3-9(5)4-2-8-6/h1,3,5,7H,2,4H2,(H,8,10).
What are the key properties of 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one?
5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one has a molecular weight of 139.16 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129116728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).