4-(6-methylpyridazin-3-yl)but-3-yn-2-ol

C9H10N2O — CID 122242531

IUPAC4-(6-methylpyridazin-3-yl)but-3-yn-2-ol
SMILESCc1ccc(C#CC(C)O)nn1
InChIInChI=1S/C9H10N2O/c1-7-3-5-9(11-10-7)6-4-8(2)12/h3,5,8,12H,1-2H3
InChIKeyCYYDPCMHPVRLFS-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.52
Rot. Bonds

About 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol

4-(6-methylpyridazin-3-yl)but-3-yn-2-ol (PubChem CID 122242531) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol.

Molecular Properties

Compound Name4-(6-methylpyridazin-3-yl)but-3-yn-2-ol
PubChem CID122242531
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-(6-methylpyridazin-3-yl)but-3-yn-2-ol
SMILESCc1ccc(C#CC(C)O)nn1
InChIInChI=1S/C9H10N2O/c1-7-3-5-9(11-10-7)6-4-8(2)12/h3,5,8,12H,1-2H3
InChIKeyCYYDPCMHPVRLFS-UHFFFAOYSA-N
XLogP0.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol?
The IUPAC name of 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol (CID 122242531) is 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol.
What is the SMILES notation for 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol?
The canonical SMILES for 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol is Cc1ccc(C#CC(C)O)nn1.
What is the InChIKey of 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol?
The InChIKey is CYYDPCMHPVRLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-3-5-9(11-10-7)6-4-8(2)12/h3,5,8,12H,1-2H3.
What are the key properties of 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol?
4-(6-methylpyridazin-3-yl)but-3-yn-2-ol has a molecular weight of 162.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyridazin-3-yl)but-3-yn-2-ol is sourced from PubChem (CID 122242531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).