2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one

C11H18N2O — CID 178009381

IUPAC2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one
SMILESCCC(C)C(C)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H18N2O/c1-5-8(2)9(3)10-6-7-11(14)13(4)12-10/h6-9H,5H2,1-4H3
InChIKeyPAOJAHNRHGXROV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.93
Rot. Bonds3

About 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one

2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one (PubChem CID 178009381) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one
PubChem CID178009381
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one
SMILESCCC(C)C(C)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H18N2O/c1-5-8(2)9(3)10-6-7-11(14)13(4)12-10/h6-9H,5H2,1-4H3
InChIKeyPAOJAHNRHGXROV-UHFFFAOYSA-N
XLogP1.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one
CID 172614445
2,6-Di(propan-2-yl)pyridazin-3-one
CID 58748005
2-Methyl-6-propan-2-ylpyridazin-3-one
CID 58757207
6-Tert-butyl-2-methylpyridazin-3-one
CID 89243949
8-Ethyl-2-methyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridazin-3-one
CID 123958821
3-(2-methylpentan-3-yl)-1H-pyridazin-6-one
CID 126539959
2-(2-Methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 138715793
5,6-Ditert-butyl-2-methylpyridazin-3-one
CID 139493390
2-(3-Methylbutyl)-6-propylpyridazin-3-one
CID 142690980
2-Ethyl-6-propan-2-ylpyridazin-3-one
CID 146745776
Ethane;2-methyl-6-propan-2-ylpyridazin-3-one
CID 157934091
2,5-Dimethyl-6-propan-2-ylpyridazin-3-one
CID 162773622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one (CID 178009381) is 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one is CCC(C)C(C)c1ccc(=O)n(C)n1.
What is the InChIKey of 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one?
The InChIKey is PAOJAHNRHGXROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-8(2)9(3)10-6-7-11(14)13(4)12-10/h6-9H,5H2,1-4H3.
What are the key properties of 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one?
2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one has a molecular weight of 194.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylpentan-2-yl)pyridazin-3-one is sourced from PubChem (CID 178009381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).