2,6-dimethyl-5-propan-2-ylpyridazin-3-one

C9H14N2O — CID 172614593

IUPAC2,6-dimethyl-5-propan-2-ylpyridazin-3-one
SMILESCc1nn(C)c(=O)cc1C(C)C
InChIInChI=1S/C9H14N2O/c1-6(2)8-5-9(12)11(4)10-7(8)3/h5-6H,1-4H3
InChIKeyJBJDCAOBHKHZPF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.21
Rot. Bonds1

About 2,6-dimethyl-5-propan-2-ylpyridazin-3-one

2,6-dimethyl-5-propan-2-ylpyridazin-3-one (PubChem CID 172614593) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,6-dimethyl-5-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2,6-dimethyl-5-propan-2-ylpyridazin-3-one
PubChem CID172614593
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,6-dimethyl-5-propan-2-ylpyridazin-3-one
SMILESCc1nn(C)c(=O)cc1C(C)C
InChIInChI=1S/C9H14N2O/c1-6(2)8-5-9(12)11(4)10-7(8)3/h5-6H,1-4H3
InChIKeyJBJDCAOBHKHZPF-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-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 162773660
5-Butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one
CID 172614445
6-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614571
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
2,4,6-Trimethylpyridazin-3-one
CID 58694571
2-Methyl-6-propan-2-ylpyridazin-3-one
CID 58757207
2,4,5-Trimethyl-6-propan-2-ylpyridazin-3-one
CID 59339231
Ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one
CID 90827651
2,5,6-Trimethyl-3(2H)-pyridazinone
CID 123800386
8-Ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one
CID 123958821
5,6-Ditert-butyl-2-methylpyridazin-3-one
CID 139493390
2,4-Dimethyl-6-propan-2-ylpyridazin-3-one
CID 139522047

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-propan-2-ylpyridazin-3-one?
The IUPAC name of 2,6-dimethyl-5-propan-2-ylpyridazin-3-one (CID 172614593) is 2,6-dimethyl-5-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2,6-dimethyl-5-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2,6-dimethyl-5-propan-2-ylpyridazin-3-one is Cc1nn(C)c(=O)cc1C(C)C.
What is the InChIKey of 2,6-dimethyl-5-propan-2-ylpyridazin-3-one?
The InChIKey is JBJDCAOBHKHZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)8-5-9(12)11(4)10-7(8)3/h5-6H,1-4H3.
What are the key properties of 2,6-dimethyl-5-propan-2-ylpyridazin-3-one?
2,6-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 2,6-dimethyl-5-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 172614593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).