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

C9H8F3N3 — CID 126658888

IUPAC3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1ccc2nc(C(F)(F)F)c(C)n2n1
InChIInChI=1S/C9H8F3N3/c1-5-3-4-7-13-8(9(10,11)12)6(2)15(7)14-5/h3-4H,1-2H3
InChIKeyYXKUFVCRDOLTLV-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.36
Rot. Bonds

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

3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 126658888) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID126658888
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1ccc2nc(C(F)(F)F)c(C)n2n1
InChIInChI=1S/C9H8F3N3/c1-5-3-4-7-13-8(9(10,11)12)6(2)15(7)14-5/h3-4H,1-2H3
InChIKeyYXKUFVCRDOLTLV-UHFFFAOYSA-N
XLogP2.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 126658888) is 3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cc1ccc2nc(C(F)(F)F)c(C)n2n1.
What is the InChIKey of 3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is YXKUFVCRDOLTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-5-3-4-7-13-8(9(10,11)12)6(2)15(7)14-5/h3-4H,1-2H3.
What are the key properties of 3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 215.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 126658888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).