6-(2-phenylethynyl)imidazo[1,2-b]pyridazine

C14H9N3 — CID 122241730

IUPAC6-(2-phenylethynyl)imidazo[1,2-b]pyridazine
SMILESC(#Cc1ccc2nccn2n1)c1ccccc1
InChIInChI=1S/C14H9N3/c1-2-4-12(5-3-1)6-7-13-8-9-14-15-10-11-17(14)16-13/h1-5,8-11H
InChIKeyGKWYFYVDOZEMFY-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.13
Rot. Bonds

About 6-(2-phenylethynyl)imidazo[1,2-b]pyridazine

6-(2-phenylethynyl)imidazo[1,2-b]pyridazine (PubChem CID 122241730) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-(2-phenylethynyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2-phenylethynyl)imidazo[1,2-b]pyridazine
PubChem CID122241730
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name6-(2-phenylethynyl)imidazo[1,2-b]pyridazine
SMILESC(#Cc1ccc2nccn2n1)c1ccccc1
InChIInChI=1S/C14H9N3/c1-2-4-12(5-3-1)6-7-13-8-9-14-15-10-11-17(14)16-13/h1-5,8-11H
InChIKeyGKWYFYVDOZEMFY-UHFFFAOYSA-N
XLogP2.13
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-(2-phenylethynyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2-phenylethynyl)imidazo[1,2-b]pyridazine (CID 122241730) is 6-(2-phenylethynyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2-phenylethynyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2-phenylethynyl)imidazo[1,2-b]pyridazine is C(#Cc1ccc2nccn2n1)c1ccccc1.
What is the InChIKey of 6-(2-phenylethynyl)imidazo[1,2-b]pyridazine?
The InChIKey is GKWYFYVDOZEMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-2-4-12(5-3-1)6-7-13-8-9-14-15-10-11-17(14)16-13/h1-5,8-11H.
What are the key properties of 6-(2-phenylethynyl)imidazo[1,2-b]pyridazine?
6-(2-phenylethynyl)imidazo[1,2-b]pyridazine has a molecular weight of 219.25 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethynyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 122241730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).