2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine

C13H12BrN5 — CID 116821769

IUPAC2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine
SMILESNCCc1nc2ccc(-c3ccccn3)nn2c1Br
InChIInChI=1S/C13H12BrN5/c14-13-11(6-7-15)17-12-5-4-10(18-19(12)13)9-3-1-2-8-16-9/h1-5,8H,6-7,15H2
InChIKeyFNVAPPREAUXNOH-UHFFFAOYSA-N
MW318.18 g/mol
LogP2.06
Rot. Bonds3

About 2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine

2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine (PubChem CID 116821769) has the molecular formula C13H12BrN5 and a molecular weight of 318.18 g/mol. Its IUPAC name is 2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine
PubChem CID116821769
Molecular FormulaC13H12BrN5
Molecular Weight318.18 g/mol
Exact Mass317.03
IUPAC Name2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine
SMILESNCCc1nc2ccc(-c3ccccn3)nn2c1Br
InChIInChI=1S/C13H12BrN5/c14-13-11(6-7-15)17-12-5-4-10(18-19(12)13)9-3-1-2-8-16-9/h1-5,8H,6-7,15H2
InChIKeyFNVAPPREAUXNOH-UHFFFAOYSA-N
XLogP2.06
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine (CID 116821769) is 2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine is NCCc1nc2ccc(-c3ccccn3)nn2c1Br.
What is the InChIKey of 2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine?
The InChIKey is FNVAPPREAUXNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5/c14-13-11(6-7-15)17-12-5-4-10(18-19(12)13)9-3-1-2-8-16-9/h1-5,8H,6-7,15H2.
What are the key properties of 2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine?
2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine has a molecular weight of 318.18 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine is sourced from PubChem (CID 116821769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).