6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid

C15H13N3O2 — CID 116854355

IUPAC6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCc1ccc(-c2ccc3ncc(C(=O)O)n3n2)c(C)c1
InChIInChI=1S/C15H13N3O2/c1-9-3-4-11(10(2)7-9)12-5-6-14-16-8-13(15(19)20)18(14)17-12/h3-8H,1-2H3,(H,19,20)
InChIKeyHUKLGDVXZHQOMU-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.71
Rot. Bonds2

About 6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid

6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 116854355) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID116854355
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCc1ccc(-c2ccc3ncc(C(=O)O)n3n2)c(C)c1
InChIInChI=1S/C15H13N3O2/c1-9-3-4-11(10(2)7-9)12-5-6-14-16-8-13(15(19)20)18(14)17-12/h3-8H,1-2H3,(H,19,20)
InChIKeyHUKLGDVXZHQOMU-UHFFFAOYSA-N
XLogP2.71
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854345
6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854352
5-(2,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 28743138
3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854656
6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854380
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773
2-(dimethylamino)-6-(2,4-dimethylphenyl)pyridine-3-carboxylic acid
CID 82123788
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525950
5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 130064939
N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide
CID 126709041
N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide
CID 66940922

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 116854355) is 6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid is Cc1ccc(-c2ccc3ncc(C(=O)O)n3n2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is HUKLGDVXZHQOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-3-4-11(10(2)7-9)12-5-6-14-16-8-13(15(19)20)18(14)17-12/h3-8H,1-2H3,(H,19,20).
What are the key properties of 6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 116854355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).