4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one

C15H18N2O4 — CID 82447614

IUPAC4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
SMILESCOCCn1nc(-c2ccccc2OC)cc(CO)c1=O
InChIInChI=1S/C15H18N2O4/c1-20-8-7-17-15(19)11(10-18)9-13(16-17)12-5-3-4-6-14(12)21-2/h3-6,9,18H,7-8,10H2,1-2H3
InChIKeyLXNNOLPBBMYMDL-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.06
Rot. Bonds6

About 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one

4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one (PubChem CID 82447614) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
PubChem CID82447614
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
SMILESCOCCn1nc(-c2ccccc2OC)cc(CO)c1=O
InChIInChI=1S/C15H18N2O4/c1-20-8-7-17-15(19)11(10-18)9-13(16-17)12-5-3-4-6-14(12)21-2/h3-6,9,18H,7-8,10H2,1-2H3
InChIKeyLXNNOLPBBMYMDL-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide
CID 82447618
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one
CID 82442975
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
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
6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one
CID 82444415
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 102642652
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one (CID 82447614) is 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one is COCCn1nc(-c2ccccc2OC)cc(CO)c1=O.
What is the InChIKey of 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one?
The InChIKey is LXNNOLPBBMYMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-8-7-17-15(19)11(10-18)9-13(16-17)12-5-3-4-6-14(12)21-2/h3-6,9,18H,7-8,10H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one?
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one has a molecular weight of 290.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 82447614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).