2,4-dimethyl-5-propan-2-ylpyridazin-3-one

C9H14N2O — CID 170979290

IUPAC2,4-dimethyl-5-propan-2-ylpyridazin-3-one
SMILESCc1c(C(C)C)cnn(C)c1=O
InChIInChI=1S/C9H14N2O/c1-6(2)8-5-10-11(4)9(12)7(8)3/h5-6H,1-4H3
InChIKeyUDBYYUZIUOSFFH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.21
Rot. Bonds1

About 2,4-dimethyl-5-propan-2-ylpyridazin-3-one

2,4-dimethyl-5-propan-2-ylpyridazin-3-one (PubChem CID 170979290) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-propan-2-ylpyridazin-3-one
PubChem CID170979290
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,4-dimethyl-5-propan-2-ylpyridazin-3-one
SMILESCc1c(C(C)C)cnn(C)c1=O
InChIInChI=1S/C9H14N2O/c1-6(2)8-5-10-11(4)9(12)7(8)3/h5-6H,1-4H3
InChIKeyUDBYYUZIUOSFFH-UHFFFAOYSA-N
XLogP1.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 170587438
4,6-Difluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172299327
4-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614337
6-Fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one
CID 172614414
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
2,4,5-Trimethylpyridazin-3-one
CID 20669839
4-Chloro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 20712566
2-Butyl-4,5-ditert-butylpyridazin-3-one
CID 20872023
4,5-Ditert-butyl-2-methylpyridazin-3-one
CID 20872054
4,5-Ditert-butyl-2-propylpyridazin-3-one
CID 23552383
4-Tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 23600272

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propan-2-ylpyridazin-3-one?
The IUPAC name of 2,4-dimethyl-5-propan-2-ylpyridazin-3-one (CID 170979290) is 2,4-dimethyl-5-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2,4-dimethyl-5-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2,4-dimethyl-5-propan-2-ylpyridazin-3-one is Cc1c(C(C)C)cnn(C)c1=O.
What is the InChIKey of 2,4-dimethyl-5-propan-2-ylpyridazin-3-one?
The InChIKey is UDBYYUZIUOSFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)8-5-10-11(4)9(12)7(8)3/h5-6H,1-4H3.
What are the key properties of 2,4-dimethyl-5-propan-2-ylpyridazin-3-one?
2,4-dimethyl-5-propan-2-ylpyridazin-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 170979290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).