2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone

C16H18N2O — CID 105081631

IUPAC2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(C)nnc2C)c1
InChIInChI=1S/C16H18N2O/c1-10-5-6-11(2)14(7-10)9-16(19)15-8-12(3)17-18-13(15)4/h5-8H,9H2,1-4H3
InChIKeyOIGUWULOSVTUHA-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.14
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone

2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone (PubChem CID 105081631) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
PubChem CID105081631
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(C)nnc2C)c1
InChIInChI=1S/C16H18N2O/c1-10-5-6-11(2)14(7-10)9-16(19)15-8-12(3)17-18-13(15)4/h5-8H,9H2,1-4H3
InChIKeyOIGUWULOSVTUHA-UHFFFAOYSA-N
XLogP3.14
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone 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

1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone
CID 105079378
1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
CID 105087972
1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone
CID 105110455
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376734
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492510
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105103740
1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 105118017
1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491825
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 115784134

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone (CID 105081631) is 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone is Cc1ccc(C)c(CC(=O)c2cc(C)nnc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone?
The InChIKey is OIGUWULOSVTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-5-6-11(2)14(7-10)9-16(19)15-8-12(3)17-18-13(15)4/h5-8H,9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone?
2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone is sourced from PubChem (CID 105081631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).