8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C11H11F3N4O — CID 167436313

IUPAC8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)O[C@@H]1CCN(c2ccnn3ccnc23)C1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)19-8-2-5-17(7-8)9-1-3-16-18-6-4-15-10(9)18/h1,3-4,6,8H,2,5,7H2/t8-/m1/s1
InChIKeyXGOGOYITHZTOSH-MRVPVSSYSA-N
MW272.23 g/mol
LogP1.84
Rot. Bonds2

About 8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 167436313) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID167436313
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)O[C@@H]1CCN(c2ccnn3ccnc23)C1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)19-8-2-5-17(7-8)9-1-3-16-18-6-4-15-10(9)18/h1,3-4,6,8H,2,5,7H2/t8-/m1/s1
InChIKeyXGOGOYITHZTOSH-MRVPVSSYSA-N
XLogP1.84
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (CID 167436313) is 8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is FC(F)(F)O[C@@H]1CCN(c2ccnn3ccnc23)C1.
What is the InChIKey of 8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is XGOGOYITHZTOSH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c12-11(13,14)19-8-2-5-17(7-8)9-1-3-16-18-6-4-15-10(9)18/h1,3-4,6,8H,2,5,7H2/t8-/m1/s1.
What are the key properties of 8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 272.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 167436313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).