2-oxido-1,3-dihydropyridazin-6-one

C4H5N2O2- — CID 88797762

IUPAC2-oxido-1,3-dihydropyridazin-6-one
SMILESO=C1C=CCN([O-])N1
InChIInChI=1S/C4H5N2O2/c7-4-2-1-3-6(8)5-4/h1-2H,3H2,(H,5,7)/q-1
InChIKeyAHPNJDDXHTYVCY-UHFFFAOYSA-N
MW113.10 g/mol
LogP-0.61
Rot. Bonds

About 2-oxido-1,3-dihydropyridazin-6-one

2-oxido-1,3-dihydropyridazin-6-one (PubChem CID 88797762) has the molecular formula C4H5N2O2- and a molecular weight of 113.10 g/mol. Its IUPAC name is 2-oxido-1,3-dihydropyridazin-6-one.

Molecular Properties

Compound Name2-oxido-1,3-dihydropyridazin-6-one
PubChem CID88797762
Molecular FormulaC4H5N2O2-
Molecular Weight113.10 g/mol
Exact Mass113.04
IUPAC Name2-oxido-1,3-dihydropyridazin-6-one
SMILESO=C1C=CCN([O-])N1
InChIInChI=1S/C4H5N2O2/c7-4-2-1-3-6(8)5-4/h1-2H,3H2,(H,5,7)/q-1
InChIKeyAHPNJDDXHTYVCY-UHFFFAOYSA-N
XLogP-0.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.10
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-oxido-1,3-dihydropyridazin-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 2-oxido-1,3-dihydropyridazin-6-one?
The IUPAC name of 2-oxido-1,3-dihydropyridazin-6-one (CID 88797762) is 2-oxido-1,3-dihydropyridazin-6-one.
What is the SMILES notation for 2-oxido-1,3-dihydropyridazin-6-one?
The canonical SMILES for 2-oxido-1,3-dihydropyridazin-6-one is O=C1C=CCN([O-])N1.
What is the InChIKey of 2-oxido-1,3-dihydropyridazin-6-one?
The InChIKey is AHPNJDDXHTYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2O2/c7-4-2-1-3-6(8)5-4/h1-2H,3H2,(H,5,7)/q-1.
What are the key properties of 2-oxido-1,3-dihydropyridazin-6-one?
2-oxido-1,3-dihydropyridazin-6-one has a molecular weight of 113.10 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxido-1,3-dihydropyridazin-6-one is sourced from PubChem (CID 88797762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).