6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine

C10H8ClF3N4 — CID 157032230

IUPAC6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)C1CN(c2cc(Cl)nn3ccnc23)C1
InChIInChI=1S/C10H8ClF3N4/c11-8-3-7(9-15-1-2-18(9)16-8)17-4-6(5-17)10(12,13)14/h1-3,6H,4-5H2
InChIKeyADXMGQXPHVTQLM-UHFFFAOYSA-N
MW276.65 g/mol
LogP2.38
Rot. Bonds1

About 6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine

6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 157032230) has the molecular formula C10H8ClF3N4 and a molecular weight of 276.65 g/mol. Its IUPAC name is 6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID157032230
Molecular FormulaC10H8ClF3N4
Molecular Weight276.65 g/mol
Exact Mass276.04
IUPAC Name6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)C1CN(c2cc(Cl)nn3ccnc23)C1
InChIInChI=1S/C10H8ClF3N4/c11-8-3-7(9-15-1-2-18(9)16-8)17-4-6(5-17)10(12,13)14/h1-3,6H,4-5H2
InChIKeyADXMGQXPHVTQLM-UHFFFAOYSA-N
XLogP2.38
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine (CID 157032230) is 6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine is FC(F)(F)C1CN(c2cc(Cl)nn3ccnc23)C1.
What is the InChIKey of 6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is ADXMGQXPHVTQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4/c11-8-3-7(9-15-1-2-18(9)16-8)17-4-6(5-17)10(12,13)14/h1-3,6H,4-5H2.
What are the key properties of 6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 276.65 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[3-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).