6-(1-hydroxyethenyl)-2-methylpyridazin-3-one

C7H8N2O2 — CID 139522180

IUPAC6-(1-hydroxyethenyl)-2-methylpyridazin-3-one
SMILESC=C(O)c1ccc(=O)n(C)n1
InChIInChI=1S/C7H8N2O2/c1-5(10)6-3-4-7(11)9(2)8-6/h3-4,10H,1H2,2H3
InChIKeyWNHMRHCGORZUKP-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.31
Rot. Bonds1

About 6-(1-hydroxyethenyl)-2-methylpyridazin-3-one

6-(1-hydroxyethenyl)-2-methylpyridazin-3-one (PubChem CID 139522180) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 6-(1-hydroxyethenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(1-hydroxyethenyl)-2-methylpyridazin-3-one
PubChem CID139522180
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name6-(1-hydroxyethenyl)-2-methylpyridazin-3-one
SMILESC=C(O)c1ccc(=O)n(C)n1
InChIInChI=1S/C7H8N2O2/c1-5(10)6-3-4-7(11)9(2)8-6/h3-4,10H,1H2,2H3
InChIKeyWNHMRHCGORZUKP-UHFFFAOYSA-N
XLogP0.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-(2-Hydroxyethyl)-2-methylpyridazin-3-one
CID 52943043
6-(Hydroxymethyl)-2-methyl-pyridazin-3-one
CID 52947892
1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2366695
1-Ethyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2084045
2,6-dimethylpyridazin-3(2H)-one
CID 12200174
1-Methyl-6-oxo-pyridazine-3-carboxylate
CID 2366694
5-Hydroxy-2,6-dimethylpyridazin-3(2H)-one
CID 56604117
Carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one
CID 66709309
6-Acetyl-2-methylpyridazin-3-one
CID 82442150
6-Ethenyl-2-methylpyridazin-3-one
CID 89184389
6-(1-Hydroxyethyl)-2-methylpyridazin-3-one
CID 91109809
2,6-Dimethyl-5-sulfanyloxypyridazin-3-one
CID 143777405

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethenyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(1-hydroxyethenyl)-2-methylpyridazin-3-one (CID 139522180) is 6-(1-hydroxyethenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(1-hydroxyethenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(1-hydroxyethenyl)-2-methylpyridazin-3-one is C=C(O)c1ccc(=O)n(C)n1.
What is the InChIKey of 6-(1-hydroxyethenyl)-2-methylpyridazin-3-one?
The InChIKey is WNHMRHCGORZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5(10)6-3-4-7(11)9(2)8-6/h3-4,10H,1H2,2H3.
What are the key properties of 6-(1-hydroxyethenyl)-2-methylpyridazin-3-one?
6-(1-hydroxyethenyl)-2-methylpyridazin-3-one has a molecular weight of 152.15 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 139522180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).