5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole

C19H16F3N7O — CID 59149754

IUPAC5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nnc2ccc(N3CCC(c4noc(-c5ccccc5)n4)CC3)nn12
InChIInChI=1S/C19H16F3N7O/c20-19(21,22)18-25-24-14-6-7-15(26-29(14)18)28-10-8-12(9-11-28)16-23-17(30-27-16)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyVSRJTADYGCRLPL-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.58
Rot. Bonds3

About 5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole

5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 59149754) has the molecular formula C19H16F3N7O and a molecular weight of 415.38 g/mol. Its IUPAC name is 5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID59149754
Molecular FormulaC19H16F3N7O
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC Name5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nnc2ccc(N3CCC(c4noc(-c5ccccc5)n4)CC3)nn12
InChIInChI=1S/C19H16F3N7O/c20-19(21,22)18-25-24-14-6-7-15(26-29(14)18)28-10-8-12(9-11-28)16-23-17(30-27-16)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyVSRJTADYGCRLPL-UHFFFAOYSA-N
XLogP3.58
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole (CID 59149754) is 5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole is FC(F)(F)c1nnc2ccc(N3CCC(c4noc(-c5ccccc5)n4)CC3)nn12.
What is the InChIKey of 5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is VSRJTADYGCRLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O/c20-19(21,22)18-25-24-14-6-7-15(26-29(14)18)28-10-8-12(9-11-28)16-23-17(30-27-16)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole?
5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 415.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 59149754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).