5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one

C12H12N2O4 — CID 82419462

IUPAC5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccccc1-n1nc(CO)c(O)cc1=O
InChIInChI=1S/C12H12N2O4/c1-18-11-5-3-2-4-9(11)14-12(17)6-10(16)8(7-15)13-14/h2-6,15-16H,7H2,1H3
InChIKeyZXSQYJCOKNXTBT-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.44
Rot. Bonds3

About 5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one

5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one (PubChem CID 82419462) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
PubChem CID82419462
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccccc1-n1nc(CO)c(O)cc1=O
InChIInChI=1S/C12H12N2O4/c1-18-11-5-3-2-4-9(11)14-12(17)6-10(16)8(7-15)13-14/h2-6,15-16H,7H2,1H3
InChIKeyZXSQYJCOKNXTBT-UHFFFAOYSA-N
XLogP0.44
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420300
6-(chloromethyl)-2-(2,5-dimethoxyphenyl)-5-hydroxypyridazin-3-one
CID 82420697
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420509
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785217
2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
CID 82422065
5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one
CID 82419557
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82420505

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one (CID 82419462) is 5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one is COc1ccccc1-n1nc(CO)c(O)cc1=O.
What is the InChIKey of 5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one?
The InChIKey is ZXSQYJCOKNXTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-18-11-5-3-2-4-9(11)14-12(17)6-10(16)8(7-15)13-14/h2-6,15-16H,7H2,1H3.
What are the key properties of 5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one?
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one has a molecular weight of 248.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 82419462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).