3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one

C12H8ClN3O — CID 71154423

IUPAC3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one
SMILESO=c1ccc2ncc(-c3cccc(Cl)c3)n2[nH]1
InChIInChI=1S/C12H8ClN3O/c13-9-3-1-2-8(6-9)10-7-14-11-4-5-12(17)15-16(10)11/h1-7H,(H,15,17)
InChIKeyHMSVOWBEKCOMCX-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.34
Rot. Bonds1

About 3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one

3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one (PubChem CID 71154423) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one
PubChem CID71154423
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one
SMILESO=c1ccc2ncc(-c3cccc(Cl)c3)n2[nH]1
InChIInChI=1S/C12H8ClN3O/c13-9-3-1-2-8(6-9)10-7-14-11-4-5-12(17)15-16(10)11/h1-7H,(H,15,17)
InChIKeyHMSVOWBEKCOMCX-UHFFFAOYSA-N
XLogP2.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one?
The IUPAC name of 3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one (CID 71154423) is 3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one.
What is the SMILES notation for 3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one?
The canonical SMILES for 3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one is O=c1ccc2ncc(-c3cccc(Cl)c3)n2[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one?
The InChIKey is HMSVOWBEKCOMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-9-3-1-2-8(6-9)10-7-14-11-4-5-12(17)15-16(10)11/h1-7H,(H,15,17).
What are the key properties of 3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one?
3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one has a molecular weight of 245.67 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one is sourced from PubChem (CID 71154423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).