3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

C94H69F29N24O9 — CID 158764583

About 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 158764583) has the molecular formula C94H69F29N24O9 and a molecular weight of 2229.69 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 158764583
• Molecular Formula: C94H69F29N24O9
• Molecular Weight: 2229.69 g/mol
• Exact Mass: 2228.52
• IUPAC Name: 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(F)(F)c1nnc2ccc(-c3cc(OC(F)(F)F)ccc3F)nn12.CC(F)(F)c1nnc2ccc(-c3cccc(OC(F)(F)F)c3)nn12.CC1(F)CC(c2nnc3ccc(-c4ccc(OC(F)(F)F)cc4)nn23)C1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C3CC(C)(F)C3)n2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C3CC3(F)F)n2n1
• InChI: InChI=1S/C18H16F4N4O2.C17H14F4N4O.C16H11F5N4O2.C15H11F5N4O2.C14H8F6N4O.C14H9F5N4O/c1-17(19)8-10(9-17)16-24-23-15-6-5-13(25-26(15)16)12-4-3-11(7-14(12)27-2)28-18(20,21)22;1-16(18)8-11(9-16)15-23-22-14-7-6-13(24-25(14)15)10-2-4-12(5-3-10)26-17(19,20)21;1-26-12-6-8(27-16(19,20)21)2-3-9(12)11-4-5-13-22-23-14(25(13)24-11)10-7-15(10,17)18;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;1-13(16,17)12-22-21-11-5-4-10(23-24(11)12)8-6-7(2-3-9(8)15)25-14(18,19)20;1-13(15,16)12-21-20-11-6-5-10(22-23(11)12)8-3-2-4-9(7-8)24-14(17,18)19/h3-7,10H,8-9H2,1-2H3;2-7,11H,8-9H2,1H3;2-6,10H,7H2,1H3;3-7H,1-2H3;2-6H,1H3;2-7H,1H3
• InChIKey: IPCBWPMDJLXTNA-UHFFFAOYSA-N
• XLogP: 23.97
• TPSA: 341.55 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2229.69
LogP ≤ 5	23.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 158764583) is 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)c1nnc2ccc(-c3cc(OC(F)(F)F)ccc3F)nn12.CC(F)(F)c1nnc2ccc(-c3cccc(OC(F)(F)F)c3)nn12.CC1(F)CC(c2nnc3ccc(-c4ccc(OC(F)(F)F)cc4)nn23)C1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C3CC(C)(F)C3)n2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C3CC3(F)F)n2n1.

What is the InChIKey of 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is IPCBWPMDJLXTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O2.C17H14F4N4O.C16H11F5N4O2.C15H11F5N4O2.C14H8F6N4O.C14H9F5N4O/c1-17(19)8-10(9-17)16-24-23-15-6-5-13(25-26(15)16)12-4-3-11(7-14(12)27-2)28-18(20,21)22;1-16(18)8-11(9-16)15-23-22-14-7-6-13(24-25(14)15)10-2-4-12(5-3-10)26-17(19,20)21;1-26-12-6-8(27-16(19,20)21)2-3-9(12)11-4-5-13-22-23-14(25(13)24-11)10-7-15(10,17)18;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;1-13(16,17)12-22-21-11-5-4-10(23-24(11)12)8-6-7(2-3-9(8)15)25-14(18,19)20;1-13(15,16)12-21-20-11-6-5-10(22-23(11)12)8-3-2-4-9(7-8)24-14(17,18)19/h3-7,10H,8-9H2,1-2H3;2-7,11H,8-9H2,1H3;2-6,10H,7H2,1H3;3-7H,1-2H3;2-6H,1H3;2-7H,1H3.

What are the key properties of 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 2229.69 g/mol, XLogP of 23.97, 21 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-fluoro-5-(trifluoromethoxy)phenyl]-[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-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(3-fluoro-3-methylcyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 158764583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).