5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine

C13H8ClN5O — CID 134158337

IUPAC5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(-c3cnc4ccc(Cl)nn34)cc12
InChIInChI=1S/C13H8ClN5O/c14-11-3-4-12-16-6-9(19(12)17-11)7-1-2-10-8(5-7)13(15)18-20-10/h1-6H,(H2,15,18)
InChIKeyKECKFSXSXSDXTK-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.77
Rot. Bonds1

About 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine

5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine (PubChem CID 134158337) has the molecular formula C13H8ClN5O and a molecular weight of 285.69 g/mol. Its IUPAC name is 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine
PubChem CID134158337
Molecular FormulaC13H8ClN5O
Molecular Weight285.69 g/mol
Exact Mass285.04
IUPAC Name5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(-c3cnc4ccc(Cl)nn34)cc12
InChIInChI=1S/C13H8ClN5O/c14-11-3-4-12-16-6-9(19(12)17-11)7-1-2-10-8(5-7)13(15)18-20-10/h1-6H,(H2,15,18)
InChIKeyKECKFSXSXSDXTK-UHFFFAOYSA-N
XLogP2.77
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine?
The IUPAC name of 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine (CID 134158337) is 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine?
The canonical SMILES for 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine is Nc1noc2ccc(-c3cnc4ccc(Cl)nn34)cc12.
What is the InChIKey of 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine?
The InChIKey is KECKFSXSXSDXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5O/c14-11-3-4-12-16-6-9(19(12)17-11)7-1-2-10-8(5-7)13(15)18-20-10/h1-6H,(H2,15,18).
What are the key properties of 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine?
5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine has a molecular weight of 285.69 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 134158337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).