2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol

C10H13BrN4O — CID 57470623

IUPAC2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(Br)n2n1
InChIInChI=1S/C10H13BrN4O/c1-2-7(6-16)13-9-3-4-10-12-5-8(11)15(10)14-9/h3-5,7,16H,2,6H2,1H3,(H,13,14)
InChIKeyYNGBSHSSRVXLNT-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.67
Rot. Bonds4

About 2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol

2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol (PubChem CID 57470623) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
PubChem CID57470623
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(Br)n2n1
InChIInChI=1S/C10H13BrN4O/c1-2-7(6-16)13-9-3-4-10-12-5-8(11)15(10)14-9/h3-5,7,16H,2,6H2,1H3,(H,13,14)
InChIKeyYNGBSHSSRVXLNT-UHFFFAOYSA-N
XLogP1.67
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The IUPAC name of 2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol (CID 57470623) is 2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol is CCC(CO)Nc1ccc2ncc(Br)n2n1.
What is the InChIKey of 2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The InChIKey is YNGBSHSSRVXLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-2-7(6-16)13-9-3-4-10-12-5-8(11)15(10)14-9/h3-5,7,16H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol has a molecular weight of 285.14 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol is sourced from PubChem (CID 57470623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).