6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone

C109H88F25N29O7 — CID 160976040

About 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone

6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone (PubChem CID 160976040) has the molecular formula C109H88F25N29O7 and a molecular weight of 2391.05 g/mol. Its IUPAC name is 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone.

Molecular Properties

• Compound Name: 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone
• PubChem CID: 160976040
• Molecular Formula: C109H88F25N29O7
• Molecular Weight: 2391.05 g/mol
• Exact Mass: 2389.70
• IUPAC Name: 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone
• SMILES: CC(C)(O)c1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cc1.CC(F)(F)c1nnc2ccc(-c3ccc(C4CC4(F)F)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(COC(F)(F)F)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)F)cc3)nn12.CCCc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.FC(F)(F)Oc1ccc(-c2cn3c(C4(F)CC4)nnc3cn2)cc1.O=C(Cc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12)N1CCCC1
• InChI: InChI=1S/C18H16F3N5O2.C16H12F4N4.C16H16F2N4O.C15H11F5N4O.C15H10F4N4O.C15H13F3N4O.C14H10F4N4O/c19-18(20,21)28-13-5-3-12(4-6-13)14-11-26-15(23-24-16(26)10-22-14)9-17(27)25-7-1-2-8-25;1-15(17,18)14-22-21-13-7-6-12(23-24(13)14)10-4-2-9(3-5-10)11-8-16(11,19)20;1-15(2,23)11-6-4-10(5-7-11)12-8-9-13-19-20-14(16(3,17)18)22(13)21-12;1-14(16,17)13-22-21-12-7-6-11(23-24(12)13)10-4-2-9(3-5-10)8-25-15(18,19)20;16-14(5-6-14)13-22-21-12-7-20-11(8-23(12)13)9-1-3-10(4-2-9)24-15(17,18)19;1-2-3-13-20-21-14-8-19-12(9-22(13)14)10-4-6-11(7-5-10)23-15(16,17)18;1-14(17,18)12-20-19-11-7-6-10(21-22(11)12)8-2-4-9(5-3-8)23-13(15)16/h3-6,10-11H,1-2,7-9H2;2-7,11H,8H2,1H3;4-9,23H,1-3H3;2-7H,8H2,1H3;1-4,7-8H,5-6H2;4-9H,2-3H2,1H3;2-7,13H,1H3
• InChIKey: SYWMLOXSLZBBGR-UHFFFAOYSA-N
• XLogP: 24.75
• TPSA: 388.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2391.05
LogP ≤ 5	24.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone?

The IUPAC name of 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone (CID 160976040) is 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone.

What is the SMILES notation for 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone?

The canonical SMILES for 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone is CC(C)(O)c1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cc1.CC(F)(F)c1nnc2ccc(-c3ccc(C4CC4(F)F)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(COC(F)(F)F)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)F)cc3)nn12.CCCc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.FC(F)(F)Oc1ccc(-c2cn3c(C4(F)CC4)nnc3cn2)cc1.O=C(Cc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12)N1CCCC1.

What is the InChIKey of 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone?

The InChIKey is SYWMLOXSLZBBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2.C16H12F4N4.C16H16F2N4O.C15H11F5N4O.C15H10F4N4O.C15H13F3N4O.C14H10F4N4O/c19-18(20,21)28-13-5-3-12(4-6-13)14-11-26-15(23-24-16(26)10-22-14)9-17(27)25-7-1-2-8-25;1-15(17,18)14-22-21-13-7-6-12(23-24(13)14)10-4-2-9(3-5-10)11-8-16(11,19)20;1-15(2,23)11-6-4-10(5-7-11)12-8-9-13-19-20-14(16(3,17)18)22(13)21-12;1-14(16,17)13-22-21-12-7-6-11(23-24(12)13)10-4-2-9(3-5-10)8-25-15(18,19)20;16-14(5-6-14)13-22-21-12-7-20-11(8-23(12)13)9-1-3-10(4-2-9)24-15(17,18)19;1-2-3-13-20-21-14-8-19-12(9-22(13)14)10-4-6-11(7-5-10)23-15(16,17)18;1-14(17,18)12-20-19-11-7-6-10(21-22(11)12)8-2-4-9(5-3-8)23-13(15)16/h3-6,10-11H,1-2,7-9H2;2-7,11H,8H2,1H3;4-9,23H,1-3H3;2-7H,8H2,1H3;1-4,7-8H,5-6H2;4-9H,2-3H2,1H3;2-7,13H,1H3.

What are the key properties of 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone?

6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone has a molecular weight of 2391.05 g/mol, XLogP of 24.75, 25 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2,2-difluorocyclopropyl)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]propan-2-ol;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-propyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-pyrrolidin-1-yl-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethanone is sourced from PubChem (CID 160976040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).