4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one

C13H14N2O3 — CID 82444297

IUPAC4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccc(-c2cc(CO)c(=O)n(C)n2)cc1
InChIInChI=1S/C13H14N2O3/c1-15-13(17)10(8-16)7-12(14-15)9-3-5-11(18-2)6-4-9/h3-7,16H,8H2,1-2H3
InChIKeyAWXULQDDXSJSHV-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.95
Rot. Bonds3

About 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one

4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one (PubChem CID 82444297) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
PubChem CID82444297
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccc(-c2cc(CO)c(=O)n(C)n2)cc1
InChIInChI=1S/C13H14N2O3/c1-15-13(17)10(8-16)7-12(14-15)9-3-5-11(18-2)6-4-9/h3-7,16H,8H2,1-2H3
InChIKeyAWXULQDDXSJSHV-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one
CID 82444415
6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444307
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444299
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444298
4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808
4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444310
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446854

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one (CID 82444297) is 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one is COc1ccc(-c2cc(CO)c(=O)n(C)n2)cc1.
What is the InChIKey of 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one?
The InChIKey is AWXULQDDXSJSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15-13(17)10(8-16)7-12(14-15)9-3-5-11(18-2)6-4-9/h3-7,16H,8H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one?
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one has a molecular weight of 246.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82444297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).