2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one

C19H18N2O3 — CID 7671786

IUPAC2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H18N2O3/c1-23-15-8-10-18(24-2)16(12-15)17-9-11-19(22)21(20-17)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyXLGADSWFYOLKCE-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.98
Rot. Bonds5

About 2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one

2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one (PubChem CID 7671786) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
PubChem CID7671786
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H18N2O3/c1-23-15-8-10-18(24-2)16(12-15)17-9-11-19(22)21(20-17)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyXLGADSWFYOLKCE-UHFFFAOYSA-N
XLogP2.98
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671802
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121052217
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671894
6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 7662773
2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one
CID 7672212
2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one
CID 76683951
2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one
CID 170317514
6-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121052184
6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671840
benzyl 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7666486
6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7671838
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one (CID 7671786) is 2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one is COc1ccc(OC)c(-c2ccc(=O)n(Cc3ccccc3)n2)c1.
What is the InChIKey of 2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is XLGADSWFYOLKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-15-8-10-18(24-2)16(12-15)17-9-11-19(22)21(20-17)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3.
What are the key properties of 2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 322.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 7671786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).