2,5-dihydroxypyridazin-3-one

C4H4N2O3 — CID 89130501

IUPAC2,5-dihydroxypyridazin-3-one
SMILESO=c1cc(O)cnn1O
InChIInChI=1S/C4H4N2O3/c7-3-1-4(8)6(9)5-2-3/h1-2,7,9H
InChIKeyJJGKCOXSSUBVFF-UHFFFAOYSA-N
MW128.09 g/mol
LogP-0.81
Rot. Bonds

About 2,5-dihydroxypyridazin-3-one

2,5-dihydroxypyridazin-3-one (PubChem CID 89130501) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 2,5-dihydroxypyridazin-3-one.

Molecular Properties

Compound Name2,5-dihydroxypyridazin-3-one
PubChem CID89130501
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name2,5-dihydroxypyridazin-3-one
SMILESO=c1cc(O)cnn1O
InChIInChI=1S/C4H4N2O3/c7-3-1-4(8)6(9)5-2-3/h1-2,7,9H
InChIKeyJJGKCOXSSUBVFF-UHFFFAOYSA-N
XLogP-0.81
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxypyridazin-3-one?
The IUPAC name of 2,5-dihydroxypyridazin-3-one (CID 89130501) is 2,5-dihydroxypyridazin-3-one.
What is the SMILES notation for 2,5-dihydroxypyridazin-3-one?
The canonical SMILES for 2,5-dihydroxypyridazin-3-one is O=c1cc(O)cnn1O.
What is the InChIKey of 2,5-dihydroxypyridazin-3-one?
The InChIKey is JJGKCOXSSUBVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c7-3-1-4(8)6(9)5-2-3/h1-2,7,9H.
What are the key properties of 2,5-dihydroxypyridazin-3-one?
2,5-dihydroxypyridazin-3-one has a molecular weight of 128.09 g/mol, XLogP of -0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxypyridazin-3-one is sourced from PubChem (CID 89130501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).