1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine

C12H17BrN4 — CID 116821842

IUPAC1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine
SMILESCNCc1nc2ccc(CC(C)C)nn2c1Br
InChIInChI=1S/C12H17BrN4/c1-8(2)6-9-4-5-11-15-10(7-14-3)12(13)17(11)16-9/h4-5,8,14H,6-7H2,1-3H3
InChIKeyGICPEENPWWPBRT-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.41
Rot. Bonds4

About 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine

1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine (PubChem CID 116821842) has the molecular formula C12H17BrN4 and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine
PubChem CID116821842
Molecular FormulaC12H17BrN4
Molecular Weight297.20 g/mol
Exact Mass296.06
IUPAC Name1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine
SMILESCNCc1nc2ccc(CC(C)C)nn2c1Br
InChIInChI=1S/C12H17BrN4/c1-8(2)6-9-4-5-11-15-10(7-14-3)12(13)17(11)16-9/h4-5,8,14H,6-7H2,1-3H3
InChIKeyGICPEENPWWPBRT-UHFFFAOYSA-N
XLogP2.41
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine (CID 116821842) is 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine is CNCc1nc2ccc(CC(C)C)nn2c1Br.
What is the InChIKey of 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine?
The InChIKey is GICPEENPWWPBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4/c1-8(2)6-9-4-5-11-15-10(7-14-3)12(13)17(11)16-9/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine?
1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine has a molecular weight of 297.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 116821842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).