2-but-3-ynyl-5-methylpyridazin-3-one

C9H10N2O — CID 106548859

IUPAC2-but-3-ynyl-5-methylpyridazin-3-one
SMILESC#CCCn1ncc(C)cc1=O
InChIInChI=1S/C9H10N2O/c1-3-4-5-11-9(12)6-8(2)7-10-11/h1,6-7H,4-5H2,2H3
InChIKeyJQZXTRZBNZCTAV-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.58
Rot. Bonds2

About 2-but-3-ynyl-5-methylpyridazin-3-one

2-but-3-ynyl-5-methylpyridazin-3-one (PubChem CID 106548859) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-but-3-ynyl-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-but-3-ynyl-5-methylpyridazin-3-one
PubChem CID106548859
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-but-3-ynyl-5-methylpyridazin-3-one
SMILESC#CCCn1ncc(C)cc1=O
InChIInChI=1S/C9H10N2O/c1-3-4-5-11-9(12)6-8(2)7-10-11/h1,6-7H,4-5H2,2H3
InChIKeyJQZXTRZBNZCTAV-UHFFFAOYSA-N
XLogP0.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-but-3-ynyl-5-methylpyridazin-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

2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
5-Methyl-2-(2-oxopropyl)pyridazin-3-one
CID 57907520
2-Ethyl-4,5-dimethylpyridazin-3-one
CID 68294011
2-(2-Methylprop-2-enyl)pyridazin-3-one
CID 89140353
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
2-Cyclopropyl-5-methylpyridazin-3(2H)-one
CID 125452004
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
2,5-Dimethylpyridazin-3-one;ethane
CID 144053992
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one;ethane
CID 169135440

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-5-methylpyridazin-3-one?
The IUPAC name of 2-but-3-ynyl-5-methylpyridazin-3-one (CID 106548859) is 2-but-3-ynyl-5-methylpyridazin-3-one.
What is the SMILES notation for 2-but-3-ynyl-5-methylpyridazin-3-one?
The canonical SMILES for 2-but-3-ynyl-5-methylpyridazin-3-one is C#CCCn1ncc(C)cc1=O.
What is the InChIKey of 2-but-3-ynyl-5-methylpyridazin-3-one?
The InChIKey is JQZXTRZBNZCTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-4-5-11-9(12)6-8(2)7-10-11/h1,6-7H,4-5H2,2H3.
What are the key properties of 2-but-3-ynyl-5-methylpyridazin-3-one?
2-but-3-ynyl-5-methylpyridazin-3-one has a molecular weight of 162.19 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-5-methylpyridazin-3-one is sourced from PubChem (CID 106548859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).