methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate

C10H8F3N3O2 — CID 140685485

IUPACmethyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C(F)(F)F)c(C)n2n1
InChIInChI=1S/C10H8F3N3O2/c1-5-8(10(11,12)13)14-7-4-3-6(9(17)18-2)15-16(5)7/h3-4H,1-2H3
InChIKeyXRAVRZNHRZHBQX-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.84
Rot. Bonds1

About methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate

methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate (PubChem CID 140685485) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate
PubChem CID140685485
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Namemethyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C(F)(F)F)c(C)n2n1
InChIInChI=1S/C10H8F3N3O2/c1-5-8(10(11,12)13)14-7-4-3-6(9(17)18-2)15-16(5)7/h3-4H,1-2H3
InChIKeyXRAVRZNHRZHBQX-UHFFFAOYSA-N
XLogP1.84
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate?
The IUPAC name of methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate (CID 140685485) is methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate.
What is the SMILES notation for methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate?
The canonical SMILES for methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate is COC(=O)c1ccc2nc(C(F)(F)F)c(C)n2n1.
What is the InChIKey of methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate?
The InChIKey is XRAVRZNHRZHBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-5-8(10(11,12)13)14-7-4-3-6(9(17)18-2)15-16(5)7/h3-4H,1-2H3.
What are the key properties of methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate?
methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate has a molecular weight of 259.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate is sourced from PubChem (CID 140685485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).