2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine

C16H16BrN3 — CID 116854791

IUPAC2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine
SMILESCc1ccc(C(C)C)cc1-c1ccc2nc(Br)cn2n1
InChIInChI=1S/C16H16BrN3/c1-10(2)12-5-4-11(3)13(8-12)14-6-7-16-18-15(17)9-20(16)19-14/h4-10H,1-3H3
InChIKeyQZFKEQHYYLJUDB-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.59
Rot. Bonds2

About 2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine

2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 116854791) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine
PubChem CID116854791
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine
SMILESCc1ccc(C(C)C)cc1-c1ccc2nc(Br)cn2n1
InChIInChI=1S/C16H16BrN3/c1-10(2)12-5-4-11(3)13(8-12)14-6-7-16-18-15(17)9-20(16)19-14/h4-10H,1-3H3
InChIKeyQZFKEQHYYLJUDB-UHFFFAOYSA-N
XLogP4.59
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854746
4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116892221
2-bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine
CID 86618519
2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine
CID 116854761
2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile
CID 116895043
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanol
CID 116893839
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116867853
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
6-(3,4-dimethylphenyl)-2-methylimidazo[1,2-b]pyridazine
CID 116854838
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine (CID 116854791) is 2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine is Cc1ccc(C(C)C)cc1-c1ccc2nc(Br)cn2n1.
What is the InChIKey of 2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is QZFKEQHYYLJUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-10(2)12-5-4-11(3)13(8-12)14-6-7-16-18-15(17)9-20(16)19-14/h4-10H,1-3H3.
What are the key properties of 2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine?
2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 330.23 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-methyl-5-propan-2-ylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 116854791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).