1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one

C15H24N2O — CID 114201681

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one
SMILESCCc1nnc(C)cc1C(=O)CC(C)CC(C)C
InChIInChI=1S/C15H24N2O/c1-6-14-13(9-12(5)16-17-14)15(18)8-11(4)7-10(2)3/h9-11H,6-8H2,1-5H3
InChIKeyIMWLFJITPZKVDL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.60
Rot. Bonds6

About 1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one

1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one (PubChem CID 114201681) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one
PubChem CID114201681
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one
SMILESCCc1nnc(C)cc1C(=O)CC(C)CC(C)C
InChIInChI=1S/C15H24N2O/c1-6-14-13(9-12(5)16-17-14)15(18)8-11(4)7-10(2)3/h9-11H,6-8H2,1-5H3
InChIKeyIMWLFJITPZKVDL-UHFFFAOYSA-N
XLogP3.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide
CID 104624859
3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
CID 104624588
2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105079147
N-(2-chloroethyl)-3-ethyl-6-methyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672454
1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one
CID 105080164
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670530
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376734
3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104625733
2-(3-chlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105078240
(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
CID 105120129
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670448
[1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexyl]hydrazine
CID 114201917

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one (CID 114201681) is 1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one is CCc1nnc(C)cc1C(=O)CC(C)CC(C)C.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one?
The InChIKey is IMWLFJITPZKVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-14-13(9-12(5)16-17-14)15(18)8-11(4)7-10(2)3/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one?
1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one is sourced from PubChem (CID 114201681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).