3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-5-(trifluoromethyl)benzonitrile;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
C105H76F33N31O6 — CID 158349723
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-5-(trifluoromethyl)benzonitrile;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-5-(trifluoromethyl)benzonitrile;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 158349723) has the molecular formula C105H76F33N31O6 and a molecular weight of 2494.91 g/mol. Its IUPAC name is 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-5-(trifluoromethyl)benzonitrile;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.
Molecular Properties
| Compound Name | 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-5-(trifluoromethyl)benzonitrile;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine |
|---|---|
| PubChem CID | 158349723 |
| Molecular Formula | C105H76F33N31O6 |
| Molecular Weight | 2494.91 g/mol |
| Exact Mass | 2493.61 |
| IUPAC Name | 3-cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-5-(trifluoromethyl)benzonitrile;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine |
| SMILES | CC(F)(F)Cc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)(F)Cc1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(C(F)(F)F)cc3C#N)nn12.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)ccc1OC(F)(F)F.Cc1cc(C(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.FC(F)(F)COc1ccc(-c2ccc3nnc(C4CC4)n3n2)cn1 |
| InChI | InChI=1S/C15H12F5N5O.C15H8F5N5.C15H11F5N4O2.2C15H11F5N4O.C15H11F5N4.C15H12F3N5O/c1-14(16,17)6-12-23-22-11-4-3-10(24-25(11)12)9-2-5-13(21-7-9)26-8-15(18,19)20;1-14(16,17)13-23-22-12-5-4-11(24-25(12)13)10-3-2-9(15(18,19)20)6-8(10)7-21;1-14(16,17)13-22-21-12-6-5-10(23-24(12)13)9-4-3-8(7-11(9)25-2)26-15(18,19)20;1-8-7-9(3-5-11(8)25-15(18,19)20)10-4-6-12-21-22-13(14(2,16)17)24(12)23-10;1-14(16,17)8-13-22-21-12-7-6-11(23-24(12)13)9-2-4-10(5-3-9)25-15(18,19)20;1-8-7-9(15(18,19)20)3-4-10(8)11-5-6-12-21-22-13(14(2,16)17)24(12)23-11;16-15(17,18)8-24-13-6-3-10(7-19-13)11-4-5-12-20-21-14(9-1-2-9)23(12)22-11/h2-5,7H,6,8H2,1H3;2-6H,1H3;3-7H,1-2H3;3-7H,1-2H3;2-7H,8H2,1H3;3-7H,1-2H3;3-7,9H,1-2,8H2 |
| InChIKey | GSDXKTQSVSCHDA-UHFFFAOYSA-N |
| XLogP | 26.16 |
| TPSA | 406.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 175 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2494.91 |
| LogP ≤ 5 | 26.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 37 |
Frequently Asked Questions
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158349723 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.