6-butyl-2,4-dimethylpyridazin-3-one

C10H16N2O — CID 13278097

IUPAC6-butyl-2,4-dimethylpyridazin-3-one
SMILESCCCCc1cc(C)c(=O)n(C)n1
InChIInChI=1S/C10H16N2O/c1-4-5-6-9-7-8(2)10(13)12(3)11-9/h7H,4-6H2,1-3H3
InChIKeyPYKQSHRKJKGTLA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.43
Rot. Bonds3

About 6-butyl-2,4-dimethylpyridazin-3-one

6-butyl-2,4-dimethylpyridazin-3-one (PubChem CID 13278097) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-butyl-2,4-dimethylpyridazin-3-one.

Molecular Properties

Compound Name6-butyl-2,4-dimethylpyridazin-3-one
PubChem CID13278097
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name6-butyl-2,4-dimethylpyridazin-3-one
SMILESCCCCc1cc(C)c(=O)n(C)n1
InChIInChI=1S/C10H16N2O/c1-4-5-6-9-7-8(2)10(13)12(3)11-9/h7H,4-6H2,1-3H3
InChIKeyPYKQSHRKJKGTLA-UHFFFAOYSA-N
XLogP1.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-butyl-2,4-dimethylpyridazin-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

2,4-Dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane
CID 142521701
2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
6-Tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
2,4,6-Trimethylpyridazin-3-one
CID 58694571
4-Ethyl-2,6-dimethylpyridazin-3-one
CID 59120442
2,4,5-Trimethyl-6-propan-2-ylpyridazin-3-one
CID 59339231
4-(3,5-Diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,5-dimethylpyrazol-3-one
CID 60102403
2,4-Diethyl-6-propylpyridazin-3-one;ethane
CID 90714417
2,4-Diethyl-6-propylpyridazin-3-one
CID 90714418
2,6-Diethyl-4-propylpyridazin-3-one;ethane
CID 90789858
Ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one
CID 90827651
1,3-dimethyl-7H-cyclopenta[d]pyridazin-4-one
CID 90932152

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2,4-dimethylpyridazin-3-one?
The IUPAC name of 6-butyl-2,4-dimethylpyridazin-3-one (CID 13278097) is 6-butyl-2,4-dimethylpyridazin-3-one.
What is the SMILES notation for 6-butyl-2,4-dimethylpyridazin-3-one?
The canonical SMILES for 6-butyl-2,4-dimethylpyridazin-3-one is CCCCc1cc(C)c(=O)n(C)n1.
What is the InChIKey of 6-butyl-2,4-dimethylpyridazin-3-one?
The InChIKey is PYKQSHRKJKGTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-6-9-7-8(2)10(13)12(3)11-9/h7H,4-6H2,1-3H3.
What are the key properties of 6-butyl-2,4-dimethylpyridazin-3-one?
6-butyl-2,4-dimethylpyridazin-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2,4-dimethylpyridazin-3-one is sourced from PubChem (CID 13278097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).