5-hydroxy-1H-pyridazin-4-one

C4H4N2O2 — CID 13001072

IUPAC5-hydroxy-1H-pyridazin-4-one
SMILESO=c1cn[nH]cc1O
InChIInChI=1S/C4H4N2O2/c7-3-1-5-6-2-4(3)8/h1-2H,(H,5,8)(H,6,7)
InChIKeyPLYGYRGRWMDMDZ-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.52
Rot. Bonds

About 5-hydroxy-1H-pyridazin-4-one

5-hydroxy-1H-pyridazin-4-one (PubChem CID 13001072) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 5-hydroxy-1H-pyridazin-4-one.

Molecular Properties

Compound Name5-hydroxy-1H-pyridazin-4-one
PubChem CID13001072
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name5-hydroxy-1H-pyridazin-4-one
SMILESO=c1cn[nH]cc1O
InChIInChI=1S/C4H4N2O2/c7-3-1-5-6-2-4(3)8/h1-2H,(H,5,8)(H,6,7)
InChIKeyPLYGYRGRWMDMDZ-UHFFFAOYSA-N
XLogP-0.52
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1H-pyridazin-4-one?
The IUPAC name of 5-hydroxy-1H-pyridazin-4-one (CID 13001072) is 5-hydroxy-1H-pyridazin-4-one.
What is the SMILES notation for 5-hydroxy-1H-pyridazin-4-one?
The canonical SMILES for 5-hydroxy-1H-pyridazin-4-one is O=c1cn[nH]cc1O.
What is the InChIKey of 5-hydroxy-1H-pyridazin-4-one?
The InChIKey is PLYGYRGRWMDMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-3-1-5-6-2-4(3)8/h1-2H,(H,5,8)(H,6,7).
What are the key properties of 5-hydroxy-1H-pyridazin-4-one?
5-hydroxy-1H-pyridazin-4-one has a molecular weight of 112.09 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1H-pyridazin-4-one is sourced from PubChem (CID 13001072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).