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

C15H16N2O — CID 105079378

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2cc(C)nnc2C)c1
InChIInChI=1S/C15H16N2O/c1-10-5-4-6-13(7-10)9-15(18)14-8-11(2)16-17-12(14)3/h4-8H,9H2,1-3H3
InChIKeyYMRTWTMVNHNXHQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.83
Rot. Bonds3

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

1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone (PubChem CID 105079378) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone
PubChem CID105079378
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2cc(C)nnc2C)c1
InChIInChI=1S/C15H16N2O/c1-10-5-4-6-13(7-10)9-15(18)14-8-11(2)16-17-12(14)3/h4-8H,9H2,1-3H3
InChIKeyYMRTWTMVNHNXHQ-UHFFFAOYSA-N
XLogP2.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone
CID 105110455
2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105081631
1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
CID 105087972
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105103740
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079337
2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105079147
2-(3-chlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105078240
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone
CID 106854616

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone (CID 105079378) is 1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2cc(C)nnc2C)c1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is YMRTWTMVNHNXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-5-4-6-13(7-10)9-15(18)14-8-11(2)16-17-12(14)3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone?
1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 240.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 105079378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).