3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine

C13H18BrN5O — CID 68647836

IUPAC3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine
SMILESBrc1cnc2ccc(NCCCN3CCOCC3)nn12
InChIInChI=1S/C13H18BrN5O/c14-11-10-16-13-3-2-12(17-19(11)13)15-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,15,17)
InChIKeyYSJLMDNIKQIXBJ-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.63
Rot. Bonds5

About 3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine

3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 68647836) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID68647836
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine
SMILESBrc1cnc2ccc(NCCCN3CCOCC3)nn12
InChIInChI=1S/C13H18BrN5O/c14-11-10-16-13-3-2-12(17-19(11)13)15-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,15,17)
InChIKeyYSJLMDNIKQIXBJ-UHFFFAOYSA-N
XLogP1.63
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine (CID 68647836) is 3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine is Brc1cnc2ccc(NCCCN3CCOCC3)nn12.
What is the InChIKey of 3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is YSJLMDNIKQIXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c14-11-10-16-13-3-2-12(17-19(11)13)15-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,15,17).
What are the key properties of 3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine?
3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 340.23 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 68647836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).