4-(3-methylbut-1-ynyl)pyridazine

C9H10N2 — CID 90442303

IUPAC4-(3-methylbut-1-ynyl)pyridazine
SMILESCC(C)C#Cc1ccnnc1
InChIInChI=1S/C9H10N2/c1-8(2)3-4-9-5-6-10-11-7-9/h5-8H,1-2H3
InChIKeyGLWFUDXWUMNRKW-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.48
Rot. Bonds

About 4-(3-methylbut-1-ynyl)pyridazine

4-(3-methylbut-1-ynyl)pyridazine (PubChem CID 90442303) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-(3-methylbut-1-ynyl)pyridazine.

Molecular Properties

Compound Name4-(3-methylbut-1-ynyl)pyridazine
PubChem CID90442303
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4-(3-methylbut-1-ynyl)pyridazine
SMILESCC(C)C#Cc1ccnnc1
InChIInChI=1S/C9H10N2/c1-8(2)3-4-9-5-6-10-11-7-9/h5-8H,1-2H3
InChIKeyGLWFUDXWUMNRKW-UHFFFAOYSA-N
XLogP1.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-methylbut-1-ynyl)pyridazine 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-(3-methylbut-1-ynyl)pyridazine?
The IUPAC name of 4-(3-methylbut-1-ynyl)pyridazine (CID 90442303) is 4-(3-methylbut-1-ynyl)pyridazine.
What is the SMILES notation for 4-(3-methylbut-1-ynyl)pyridazine?
The canonical SMILES for 4-(3-methylbut-1-ynyl)pyridazine is CC(C)C#Cc1ccnnc1.
What is the InChIKey of 4-(3-methylbut-1-ynyl)pyridazine?
The InChIKey is GLWFUDXWUMNRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-8(2)3-4-9-5-6-10-11-7-9/h5-8H,1-2H3.
What are the key properties of 4-(3-methylbut-1-ynyl)pyridazine?
4-(3-methylbut-1-ynyl)pyridazine has a molecular weight of 146.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-1-ynyl)pyridazine is sourced from PubChem (CID 90442303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).