6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one

C14H16N2O4 — CID 82444415

IUPAC6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one
SMILESCOc1ccc(-c2cc(CO)c(=O)n(C)n2)c(OC)c1
InChIInChI=1S/C14H16N2O4/c1-16-14(18)9(8-17)6-12(15-16)11-5-4-10(19-2)7-13(11)20-3/h4-7,17H,8H2,1-3H3
InChIKeyCTOLWHFCCXAALD-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.96
Rot. Bonds4

About 6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one

6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one (PubChem CID 82444415) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one
PubChem CID82444415
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one
SMILESCOc1ccc(-c2cc(CO)c(=O)n(C)n2)c(OC)c1
InChIInChI=1S/C14H16N2O4/c1-16-14(18)9(8-17)6-12(15-16)11-5-4-10(19-2)7-13(11)20-3/h4-7,17H,8H2,1-3H3
InChIKeyCTOLWHFCCXAALD-UHFFFAOYSA-N
XLogP0.96
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444106
2-[6-(2-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82444119
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
CID 82447614
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759083
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
3-(2,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3333611
ethyl 4-[3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759088
4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
6-(5-chloro-2-methoxyphenyl)-2-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82444558

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one (CID 82444415) is 6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one is COc1ccc(-c2cc(CO)c(=O)n(C)n2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one?
The InChIKey is CTOLWHFCCXAALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-16-14(18)9(8-17)6-12(15-16)11-5-4-10(19-2)7-13(11)20-3/h4-7,17H,8H2,1-3H3.
What are the key properties of 6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one?
6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one has a molecular weight of 276.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82444415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).