3-[(2-ethenylphenyl)methyl]pyridazine

C13H12N2 — CID 70151249

IUPAC3-[(2-ethenylphenyl)methyl]pyridazine
SMILESC=Cc1ccccc1Cc1cccnn1
InChIInChI=1S/C13H12N2/c1-2-11-6-3-4-7-12(11)10-13-8-5-9-14-15-13/h2-9H,1,10H2
InChIKeyMCGGZDPICGWLEB-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.71
Rot. Bonds3

About 3-[(2-ethenylphenyl)methyl]pyridazine

3-[(2-ethenylphenyl)methyl]pyridazine (PubChem CID 70151249) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(2-ethenylphenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-[(2-ethenylphenyl)methyl]pyridazine
PubChem CID70151249
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-[(2-ethenylphenyl)methyl]pyridazine
SMILESC=Cc1ccccc1Cc1cccnn1
InChIInChI=1S/C13H12N2/c1-2-11-6-3-4-7-12(11)10-13-8-5-9-14-15-13/h2-9H,1,10H2
InChIKeyMCGGZDPICGWLEB-UHFFFAOYSA-N
XLogP2.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2-ethenylphenyl)methyl]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 3-[(2-ethenylphenyl)methyl]pyridazine?
The IUPAC name of 3-[(2-ethenylphenyl)methyl]pyridazine (CID 70151249) is 3-[(2-ethenylphenyl)methyl]pyridazine.
What is the SMILES notation for 3-[(2-ethenylphenyl)methyl]pyridazine?
The canonical SMILES for 3-[(2-ethenylphenyl)methyl]pyridazine is C=Cc1ccccc1Cc1cccnn1.
What is the InChIKey of 3-[(2-ethenylphenyl)methyl]pyridazine?
The InChIKey is MCGGZDPICGWLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-11-6-3-4-7-12(11)10-13-8-5-9-14-15-13/h2-9H,1,10H2.
What are the key properties of 3-[(2-ethenylphenyl)methyl]pyridazine?
3-[(2-ethenylphenyl)methyl]pyridazine has a molecular weight of 196.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethenylphenyl)methyl]pyridazine is sourced from PubChem (CID 70151249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).