3,6-bis(2-phenylethynyl)pyridazine

C20H12N2 — CID 12680261

IUPAC3,6-bis(2-phenylethynyl)pyridazine
SMILESC(#Cc1ccc(C#Cc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C20H12N2/c1-3-7-17(8-4-1)11-13-19-15-16-20(22-21-19)14-12-18-9-5-2-6-10-18/h1-10,15-16H
InChIKeyDDZLPZXBZARWCF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.28
Rot. Bonds

About 3,6-bis(2-phenylethynyl)pyridazine

3,6-bis(2-phenylethynyl)pyridazine (PubChem CID 12680261) has the molecular formula C20H12N2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3,6-bis(2-phenylethynyl)pyridazine.

Molecular Properties

Compound Name3,6-bis(2-phenylethynyl)pyridazine
PubChem CID12680261
Molecular FormulaC20H12N2
Molecular Weight280.33 g/mol
Exact Mass280.10
IUPAC Name3,6-bis(2-phenylethynyl)pyridazine
SMILESC(#Cc1ccc(C#Cc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C20H12N2/c1-3-7-17(8-4-1)11-13-19-15-16-20(22-21-19)14-12-18-9-5-2-6-10-18/h1-10,15-16H
InChIKeyDDZLPZXBZARWCF-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-phenylethynyl)pyridazine?
The IUPAC name of 3,6-bis(2-phenylethynyl)pyridazine (CID 12680261) is 3,6-bis(2-phenylethynyl)pyridazine.
What is the SMILES notation for 3,6-bis(2-phenylethynyl)pyridazine?
The canonical SMILES for 3,6-bis(2-phenylethynyl)pyridazine is C(#Cc1ccc(C#Cc2ccccc2)nn1)c1ccccc1.
What is the InChIKey of 3,6-bis(2-phenylethynyl)pyridazine?
The InChIKey is DDZLPZXBZARWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2/c1-3-7-17(8-4-1)11-13-19-15-16-20(22-21-19)14-12-18-9-5-2-6-10-18/h1-10,15-16H.
What are the key properties of 3,6-bis(2-phenylethynyl)pyridazine?
3,6-bis(2-phenylethynyl)pyridazine has a molecular weight of 280.33 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-phenylethynyl)pyridazine is sourced from PubChem (CID 12680261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).