6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine

C8H6F3N3O — CID 89441750

IUPAC6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine
SMILESCc1cc(OC(F)(F)F)c2nccn2n1
InChIInChI=1S/C8H6F3N3O/c1-5-4-6(15-8(9,10)11)7-12-2-3-14(7)13-5/h2-4H,1H3
InChIKeyCCYVCQFLOBLHGM-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.94
Rot. Bonds1

About 6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine

6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine (PubChem CID 89441750) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine
PubChem CID89441750
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine
SMILESCc1cc(OC(F)(F)F)c2nccn2n1
InChIInChI=1S/C8H6F3N3O/c1-5-4-6(15-8(9,10)11)7-12-2-3-14(7)13-5/h2-4H,1H3
InChIKeyCCYVCQFLOBLHGM-UHFFFAOYSA-N
XLogP1.94
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine (CID 89441750) is 6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine is Cc1cc(OC(F)(F)F)c2nccn2n1.
What is the InChIKey of 6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine?
The InChIKey is CCYVCQFLOBLHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-5-4-6(15-8(9,10)11)7-12-2-3-14(7)13-5/h2-4H,1H3.
What are the key properties of 6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine?
6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine has a molecular weight of 217.15 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(trifluoromethoxy)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 89441750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).