6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one

C15H19N3O2 — CID 82444331

IUPAC6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
SMILESCCOc1ccc(-c2cc(CNC)c(=O)n(C)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-4-20-13-7-5-11(6-8-13)14-9-12(10-16-2)15(19)18(3)17-14/h5-9,16H,4,10H2,1-3H3
InChIKeyMYGGYPHWXFSBAV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.57
Rot. Bonds5

About 6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one

6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one (PubChem CID 82444331) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
PubChem CID82444331
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
SMILESCCOc1ccc(-c2cc(CNC)c(=O)n(C)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-4-20-13-7-5-11(6-8-13)14-9-12(10-16-2)15(19)18(3)17-14/h5-9,16H,4,10H2,1-3H3
InChIKeyMYGGYPHWXFSBAV-UHFFFAOYSA-N
XLogP1.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82443800
2-methyl-4-(methylaminomethyl)-6-(4-propan-2-yloxyphenyl)pyridazin-3-one
CID 82444356
6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444330
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164
4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444307
6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82443803
4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one
CID 82443838
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297
6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82444010
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one?
The IUPAC name of 6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one (CID 82444331) is 6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one is CCOc1ccc(-c2cc(CNC)c(=O)n(C)n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one?
The InChIKey is MYGGYPHWXFSBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-13-7-5-11(6-8-13)14-9-12(10-16-2)15(19)18(3)17-14/h5-9,16H,4,10H2,1-3H3.
What are the key properties of 6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one?
6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one is sourced from PubChem (CID 82444331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).