6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine

C15H12F3N3O — CID 155111006

IUPAC6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine
SMILESCc1ccc2ncc(-c3cccc(COC(F)(F)F)c3)n2n1
InChIInChI=1S/C15H12F3N3O/c1-10-5-6-14-19-8-13(21(14)20-10)12-4-2-3-11(7-12)9-22-15(16,17)18/h2-8H,9H2,1H3
InChIKeyLKJPVAXFXMUDRW-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.74
Rot. Bonds3

About 6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine

6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 155111006) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine
PubChem CID155111006
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine
SMILESCc1ccc2ncc(-c3cccc(COC(F)(F)F)c3)n2n1
InChIInChI=1S/C15H12F3N3O/c1-10-5-6-14-19-8-13(21(14)20-10)12-4-2-3-11(7-12)9-22-15(16,17)18/h2-8H,9H2,1H3
InChIKeyLKJPVAXFXMUDRW-UHFFFAOYSA-N
XLogP3.74
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine (CID 155111006) is 6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine is Cc1ccc2ncc(-c3cccc(COC(F)(F)F)c3)n2n1.
What is the InChIKey of 6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is LKJPVAXFXMUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-10-5-6-14-19-8-13(21(14)20-10)12-4-2-3-11(7-12)9-22-15(16,17)18/h2-8H,9H2,1H3.
What are the key properties of 6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine?
6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 307.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-(trifluoromethoxymethyl)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 155111006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).