3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine

C15H14BrN3O — CID 116854679

IUPAC3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1cc(C)c(C)cc1-c1ccc2ncc(Br)n2n1
InChIInChI=1S/C15H14BrN3O/c1-9-6-11(13(20-3)7-10(9)2)12-4-5-15-17-8-14(16)19(15)18-12/h4-8H,1-3H3
InChIKeyUXDADHISEFCJBO-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.78
Rot. Bonds2

About 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine

3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 116854679) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine
PubChem CID116854679
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1cc(C)c(C)cc1-c1ccc2ncc(Br)n2n1
InChIInChI=1S/C15H14BrN3O/c1-9-6-11(13(20-3)7-10(9)2)12-4-5-15-17-8-14(16)19(15)18-12/h4-8H,1-3H3
InChIKeyUXDADHISEFCJBO-UHFFFAOYSA-N
XLogP3.78
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine (CID 116854679) is 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine is COc1cc(C)c(C)cc1-c1ccc2ncc(Br)n2n1.
What is the InChIKey of 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is UXDADHISEFCJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-6-11(13(20-3)7-10(9)2)12-4-5-15-17-8-14(16)19(15)18-12/h4-8H,1-3H3.
What are the key properties of 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 332.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 116854679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).