4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine

C12H15F3N4O3S — CID 75474267

IUPAC4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine
SMILESO=S(=O)(C1CN(c2ccc(C(F)(F)F)nn2)C1)N1CCOCC1
InChIInChI=1S/C12H15F3N4O3S/c13-12(14,15)10-1-2-11(17-16-10)18-7-9(8-18)23(20,21)19-3-5-22-6-4-19/h1-2,9H,3-8H2
InChIKeyPHGKSUNRGSTYLK-UHFFFAOYSA-N
MW352.34 g/mol
LogP0.35
Rot. Bonds3

About 4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine

4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine (PubChem CID 75474267) has the molecular formula C12H15F3N4O3S and a molecular weight of 352.34 g/mol. Its IUPAC name is 4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine
PubChem CID75474267
Molecular FormulaC12H15F3N4O3S
Molecular Weight352.34 g/mol
Exact Mass352.08
IUPAC Name4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine
SMILESO=S(=O)(C1CN(c2ccc(C(F)(F)F)nn2)C1)N1CCOCC1
InChIInChI=1S/C12H15F3N4O3S/c13-12(14,15)10-1-2-11(17-16-10)18-7-9(8-18)23(20,21)19-3-5-22-6-4-19/h1-2,9H,3-8H2
InChIKeyPHGKSUNRGSTYLK-UHFFFAOYSA-N
XLogP0.35
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine (CID 75474267) is 4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine is O=S(=O)(C1CN(c2ccc(C(F)(F)F)nn2)C1)N1CCOCC1.
What is the InChIKey of 4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine?
The InChIKey is PHGKSUNRGSTYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O3S/c13-12(14,15)10-1-2-11(17-16-10)18-7-9(8-18)23(20,21)19-3-5-22-6-4-19/h1-2,9H,3-8H2.
What are the key properties of 4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine?
4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine has a molecular weight of 352.34 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine is sourced from PubChem (CID 75474267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).