1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one

C16H21N3O — CID 82419228

IUPAC1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
SMILESCCNCc1nn(-c2ccc(C)cc2C)c(C)cc1=O
InChIInChI=1S/C16H21N3O/c1-5-17-10-14-16(20)9-13(4)19(18-14)15-7-6-11(2)8-12(15)3/h6-9,17H,5,10H2,1-4H3
InChIKeyOCNCBIDRGDNRGS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.27
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one

1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one (PubChem CID 82419228) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
PubChem CID82419228
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
SMILESCCNCc1nn(-c2ccc(C)cc2C)c(C)cc1=O
InChIInChI=1S/C16H21N3O/c1-5-17-10-14-16(20)9-13(4)19(18-14)15-7-6-11(2)8-12(15)3/h6-9,17H,5,10H2,1-4H3
InChIKeyOCNCBIDRGDNRGS-UHFFFAOYSA-N
XLogP2.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419241
1-(3-chloro-2-methylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420193
3-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride
CID 82419252
1-(2,5-dimethoxyphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420726
N-[[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61271721
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
6-(butylaminomethyl)-2-(2,4-dimethylphenyl)-5-hydroxypyridazin-3-one
CID 82419180
2-[1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82420431
1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420484
3-(chloromethyl)-1-(2,5-dimethylphenyl)-6-methylpyridazin-4-one
CID 82420428
3-(butylaminomethyl)-1-(2-ethylphenyl)-6-methylpyridazin-4-one
CID 82419883
3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one
CID 82419602

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one (CID 82419228) is 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one is CCNCc1nn(-c2ccc(C)cc2C)c(C)cc1=O.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
The InChIKey is OCNCBIDRGDNRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-17-10-14-16(20)9-13(4)19(18-14)15-7-6-11(2)8-12(15)3/h6-9,17H,5,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one?
1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82419228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).