4,5-dihydro-1H-pyridazin-6-one

C4H6N2O — CID 13034799

IUPAC4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC=NN1
InChIInChI=1S/C4H6N2O/c7-4-2-1-3-5-6-4/h3H,1-2H2,(H,6,7)
InChIKeyORSUMIZRRGPJBR-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.12
Rot. Bonds

About 4,5-dihydro-1H-pyridazin-6-one

4,5-dihydro-1H-pyridazin-6-one (PubChem CID 13034799) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4,5-dihydro-1H-pyridazin-6-one
PubChem CID13034799
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC=NN1
InChIInChI=1S/C4H6N2O/c7-4-2-1-3-5-6-4/h3H,1-2H2,(H,6,7)
InChIKeyORSUMIZRRGPJBR-UHFFFAOYSA-N
XLogP-0.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dihydro-1H-pyridazin-6-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 4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4,5-dihydro-1H-pyridazin-6-one (CID 13034799) is 4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4,5-dihydro-1H-pyridazin-6-one is O=C1CCC=NN1.
What is the InChIKey of 4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is ORSUMIZRRGPJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c7-4-2-1-3-5-6-4/h3H,1-2H2,(H,6,7).
What are the key properties of 4,5-dihydro-1H-pyridazin-6-one?
4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 98.10 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 13034799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).