5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one

C6H9N2O2+ — CID 122229069

IUPAC5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one
SMILESCn1c(=O)cc(O)c[n+]1C
InChIInChI=1S/C6H8N2O2/c1-7-4-5(9)3-6(10)8(7)2/h3-4H,1-2H3/p+1
InChIKeyJMAALRYRAXGLKF-UHFFFAOYSA-O
MW141.15 g/mol
LogP-1.08
Rot. Bonds

About 5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one

5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one (PubChem CID 122229069) has the molecular formula C6H9N2O2+ and a molecular weight of 141.15 g/mol. Its IUPAC name is 5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one.

Molecular Properties

Compound Name5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one
PubChem CID122229069
Molecular FormulaC6H9N2O2+
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one
SMILESCn1c(=O)cc(O)c[n+]1C
InChIInChI=1S/C6H8N2O2/c1-7-4-5(9)3-6(10)8(7)2/h3-4H,1-2H3/p+1
InChIKeyJMAALRYRAXGLKF-UHFFFAOYSA-O
XLogP-1.08
TPSA46.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-Methoxy-2-methyl-3(2H)-pyridazinone
CID 10749259
5-Hydroxy-2-methyl-2,3-dihydropyridazin-3-one
CID 58493404
5-Hydroxy-2-(2-methoxyethyl)pyridazin-3-one
CID 57066440
5-Hydroxy-2-prop-2-ynylpyridazin-3-one
CID 57147962
2-(4-Hydroxy-6-oxopyridazin-1-yl)acetonitrile
CID 57213933
5-Hydroxy-2-(3-oxobutyl)pyridazin-3-one
CID 57239804
5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium
CID 58493403
2-Ethyl-5-methoxy-2,3-dihydropyridazin-3-one
CID 66865616
5-Hydroxy-2-propan-2-ylpyridazin-3-one
CID 129450951
2-Methylpyridazin-3-one;hydrate
CID 174432099
5-Ethoxy-2-methylpyridazin-3-one
CID 10511059
1,2-Dimethyl-6-oxopyridazin-2-ium-4-olate
CID 122229068

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one?
The IUPAC name of 5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one (CID 122229069) is 5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one.
What is the SMILES notation for 5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one?
The canonical SMILES for 5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one is Cn1c(=O)cc(O)c[n+]1C.
What is the InChIKey of 5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one?
The InChIKey is JMAALRYRAXGLKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2O2/c1-7-4-5(9)3-6(10)8(7)2/h3-4H,1-2H3/p+1.
What are the key properties of 5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one?
5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one has a molecular weight of 141.15 g/mol, XLogP of -1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,2-dimethylpyridazin-1-ium-3-one is sourced from PubChem (CID 122229069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).