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

C13H8F3N3O2 — CID 90142509

IUPAC3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one
SMILESO=c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2[nH]1
InChIInChI=1S/C13H8F3N3O2/c14-13(15,16)21-9-3-1-2-8(6-9)10-7-17-11-4-5-12(20)18-19(10)11/h1-7H,(H,18,20)
InChIKeySYPCGDFMMYLQDO-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.59
Rot. Bonds2

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

3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one (PubChem CID 90142509) has the molecular formula C13H8F3N3O2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one
PubChem CID90142509
Molecular FormulaC13H8F3N3O2
Molecular Weight295.22 g/mol
Exact Mass295.06
IUPAC Name3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one
SMILESO=c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2[nH]1
InChIInChI=1S/C13H8F3N3O2/c14-13(15,16)21-9-3-1-2-8(6-9)10-7-17-11-4-5-12(20)18-19(10)11/h1-7H,(H,18,20)
InChIKeySYPCGDFMMYLQDO-UHFFFAOYSA-N
XLogP2.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one?
The IUPAC name of 3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one (CID 90142509) is 3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one.
What is the SMILES notation for 3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one?
The canonical SMILES for 3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one is O=c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2[nH]1.
What is the InChIKey of 3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one?
The InChIKey is SYPCGDFMMYLQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2/c14-13(15,16)21-9-3-1-2-8(6-9)10-7-17-11-4-5-12(20)18-19(10)11/h1-7H,(H,18,20).
What are the key properties of 3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one?
3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one has a molecular weight of 295.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one is sourced from PubChem (CID 90142509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).