3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite

C52H42F19N15O3S — CID 157266575

About 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite

3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite (PubChem CID 157266575) has the molecular formula C52H42F19N15O3S and a molecular weight of 1318.04 g/mol. Its IUPAC name is 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite.

Molecular Properties

• Compound Name: 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite
• PubChem CID: 157266575
• Molecular Formula: C52H42F19N15O3S
• Molecular Weight: 1318.04 g/mol
• Exact Mass: 1317.30
• IUPAC Name: 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite
• SMILES: CC(C)(Oc1ncc(-c2ccc3nnc(C4CC4(F)F)n3n2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2ccc3nnc([C@@H]4CC4(F)F)n3n2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2ccc3nnc([C@H]4CC4(F)F)n3n2)cc1F)C(F)(F)F.CSF
• InChI: InChI=1S/3C17H13F6N5O.CH3FS/c3*1-15(2,17(21,22)23)29-14-10(18)5-8(7-24-14)11-3-4-12-25-26-13(28(12)27-11)9-6-16(9,19)20;1-3-2/h3*3-5,7,9H,6H2,1-2H3;1H3/t2*9-;;/m10../s1
• InChIKey: AYBIMMSHYHPUCW-SKJKTULISA-N
• XLogP: 13.74
• TPSA: 195.60 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1318.04
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite?

The IUPAC name of 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite (CID 157266575) is 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite.

What is the SMILES notation for 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite?

The canonical SMILES for 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite is CC(C)(Oc1ncc(-c2ccc3nnc(C4CC4(F)F)n3n2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2ccc3nnc([C@@H]4CC4(F)F)n3n2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2ccc3nnc([C@H]4CC4(F)F)n3n2)cc1F)C(F)(F)F.CSF.

What is the InChIKey of 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite?

The InChIKey is AYBIMMSHYHPUCW-SKJKTULISA-N. The full InChI is InChI=1S/3C17H13F6N5O.CH3FS/c3*1-15(2,17(21,22)23)29-14-10(18)5-8(7-24-14)11-3-4-12-25-26-13(28(12)27-11)9-6-16(9,19)20;1-3-2/h3*3-5,7,9H,6H2,1-2H3;1H3/t2*9-;;/m10../s1.

What are the key properties of 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite?

3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite has a molecular weight of 1318.04 g/mol, XLogP of 13.74, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;methyl thiohypofluorite is sourced from PubChem (CID 157266575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).