6-methyl-2-(2-methylpropyl)pyridazin-3-one

C9H14N2O — CID 59803322

IUPAC6-methyl-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1ccc(=O)n(CC(C)C)n1
InChIInChI=1S/C9H14N2O/c1-7(2)6-11-9(12)5-4-8(3)10-11/h4-5,7H,6H2,1-3H3
InChIKeyZNOMZILFAMSYOD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.21
Rot. Bonds2

About 6-methyl-2-(2-methylpropyl)pyridazin-3-one

6-methyl-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 59803322) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropyl)pyridazin-3-one
PubChem CID59803322
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6-methyl-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1ccc(=O)n(CC(C)C)n1
InChIInChI=1S/C9H14N2O/c1-7(2)6-11-9(12)5-4-8(3)10-11/h4-5,7H,6H2,1-3H3
InChIKeyZNOMZILFAMSYOD-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-methyl-2-(2-methylpropyl)pyridazin-3-one (CID 59803322) is 6-methyl-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-methyl-2-(2-methylpropyl)pyridazin-3-one is Cc1ccc(=O)n(CC(C)C)n1.
What is the InChIKey of 6-methyl-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is ZNOMZILFAMSYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)6-11-9(12)5-4-8(3)10-11/h4-5,7H,6H2,1-3H3.
What are the key properties of 6-methyl-2-(2-methylpropyl)pyridazin-3-one?
6-methyl-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 59803322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).