3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one

C16H21N3O3 — CID 82419522

IUPAC3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
SMILESCOCCNCc1nn(-c2ccccc2OC)c(C)cc1=O
InChIInChI=1S/C16H21N3O3/c1-12-10-15(20)13(11-17-8-9-21-2)18-19(12)14-6-4-5-7-16(14)22-3/h4-7,10,17H,8-9,11H2,1-3H3
InChIKeyWGMACMNTFPMQKL-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.29
Rot. Bonds7

About 3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one

3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one (PubChem CID 82419522) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
PubChem CID82419522
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
SMILESCOCCNCc1nn(-c2ccccc2OC)c(C)cc1=O
InChIInChI=1S/C16H21N3O3/c1-12-10-15(20)13(11-17-8-9-21-2)18-19(12)14-6-4-5-7-16(14)22-3/h4-7,10,17H,8-9,11H2,1-3H3
InChIKeyWGMACMNTFPMQKL-UHFFFAOYSA-N
XLogP1.29
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(butylaminomethyl)-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82419519
1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420277
1-(4-chlorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82422165
1-(3,4-difluorophenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420959
1-(2,5-dimethoxyphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420726
1-(2,5-dimethoxyphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82420725
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419537
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
3-(butylaminomethyl)-1-(2,5-difluorophenyl)-6-methylpyridazin-4-one
CID 82421607
3-(chloromethyl)-1-(2-methoxyphenyl)-5-methylpyrazole
CID 82129618
3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one
CID 82419602
1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82419961

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one (CID 82419522) is 3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one is COCCNCc1nn(-c2ccccc2OC)c(C)cc1=O.
What is the InChIKey of 3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one?
The InChIKey is WGMACMNTFPMQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-10-15(20)13(11-17-8-9-21-2)18-19(12)14-6-4-5-7-16(14)22-3/h4-7,10,17H,8-9,11H2,1-3H3.
What are the key properties of 3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one?
3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one has a molecular weight of 303.36 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82419522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).