2,4-dimethyl-6-propylpyridazin-3-one

C9H14N2O — CID 155699983

IUPAC2,4-dimethyl-6-propylpyridazin-3-one
SMILESCCCc1cc(C)c(=O)n(C)n1
InChIInChI=1S/C9H14N2O/c1-4-5-8-6-7(2)9(12)11(3)10-8/h6H,4-5H2,1-3H3
InChIKeyNICMREAATLUPCK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.04
Rot. Bonds2

About 2,4-dimethyl-6-propylpyridazin-3-one

2,4-dimethyl-6-propylpyridazin-3-one (PubChem CID 155699983) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,4-dimethyl-6-propylpyridazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6-propylpyridazin-3-one
PubChem CID155699983
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,4-dimethyl-6-propylpyridazin-3-one
SMILESCCCc1cc(C)c(=O)n(C)n1
InChIInChI=1S/C9H14N2O/c1-4-5-8-6-7(2)9(12)11(3)10-8/h6H,4-5H2,1-3H3
InChIKeyNICMREAATLUPCK-UHFFFAOYSA-N
XLogP1.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3(2H)-cinnolinone
CID 368585
2,4-Dimethyl-6-(trifluoromethyl)pyridazin-3-one
CID 137453954
2,4-Dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane
CID 142521701
2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
4-Ethylidene-2,5-dimethylpyrazol-3-one
CID 22950815
5-methyl-3-propyl-1H-pyridazin-6-one
CID 53926982
6-Tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
2,4,6-Trimethylpyridazin-3-one
CID 58694571
2-Methyl-6-propan-2-ylpyridazin-3-one
CID 58757207
4-Ethyl-2,6-dimethylpyridazin-3-one
CID 59120442
2,4,5-Trimethyl-6-propan-2-ylpyridazin-3-one
CID 59339231
5-(Aminomethyl)-6-ethyl-2-methylpyridazin-3-one
CID 84108202

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-propylpyridazin-3-one?
The IUPAC name of 2,4-dimethyl-6-propylpyridazin-3-one (CID 155699983) is 2,4-dimethyl-6-propylpyridazin-3-one.
What is the SMILES notation for 2,4-dimethyl-6-propylpyridazin-3-one?
The canonical SMILES for 2,4-dimethyl-6-propylpyridazin-3-one is CCCc1cc(C)c(=O)n(C)n1.
What is the InChIKey of 2,4-dimethyl-6-propylpyridazin-3-one?
The InChIKey is NICMREAATLUPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-8-6-7(2)9(12)11(3)10-8/h6H,4-5H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-propylpyridazin-3-one?
2,4-dimethyl-6-propylpyridazin-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-propylpyridazin-3-one is sourced from PubChem (CID 155699983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).