2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine

C15H15BrN4 — CID 116821637

IUPAC2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine
SMILESCNCCc1cn2nc(-c3ccccc3Br)ccc2n1
InChIInChI=1S/C15H15BrN4/c1-17-9-8-11-10-20-15(18-11)7-6-14(19-20)12-4-2-3-5-13(12)16/h2-7,10,17H,8-9H2,1H3
InChIKeyQPWXXLJFGQTWMB-UHFFFAOYSA-N
MW331.22 g/mol
LogP2.92
Rot. Bonds4

About 2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine

2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine (PubChem CID 116821637) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine
PubChem CID116821637
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine
SMILESCNCCc1cn2nc(-c3ccccc3Br)ccc2n1
InChIInChI=1S/C15H15BrN4/c1-17-9-8-11-10-20-15(18-11)7-6-14(19-20)12-4-2-3-5-13(12)16/h2-7,10,17H,8-9H2,1H3
InChIKeyQPWXXLJFGQTWMB-UHFFFAOYSA-N
XLogP2.92
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(6-phenylimidazo[1,2-b]pyridazin-2-yl)ethanamine
CID 116821620
N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine
CID 116821619
N-methyl-2-[6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]ethanamine
CID 116821615
N-methyl-2-[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine
CID 116821638
3-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
CID 105424049
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine
CID 116821693
N-ethyl-N-[(6-phenylimidazo[1,2-b]pyridazin-2-yl)methyl]ethanamine
CID 14406868
N-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine
CID 83829564
2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine
CID 83844072
2-imidazo[1,2-b][1,2,4]triazin-6-yl-N-methylethanamine
CID 83874706
2-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854746

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine (CID 116821637) is 2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine is CNCCc1cn2nc(-c3ccccc3Br)ccc2n1.
What is the InChIKey of 2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine?
The InChIKey is QPWXXLJFGQTWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-17-9-8-11-10-20-15(18-11)7-6-14(19-20)12-4-2-3-5-13(12)16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine?
2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine has a molecular weight of 331.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine is sourced from PubChem (CID 116821637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).