3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

C94H77F27N24O9 — CID 162220345

About 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 162220345) has the molecular formula C94H77F27N24O9 and a molecular weight of 2199.75 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 162220345
• Molecular Formula: C94H77F27N24O9
• Molecular Weight: 2199.75 g/mol
• Exact Mass: 2198.59
• IUPAC Name: 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: COCc1cc(-c2cn3c(C(C)F)nnc3cn2)ccc1OC(F)(F)F.COCc1cc(C(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.COCc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)cn2c(C(C)(F)F)nnc12
• InChI: InChI=1S/C16H13F5N4O2.2C16H14F4N4O2.C16H14F4N4O.2C15H11F5N4O/c1-15(17,18)14-23-22-12-7-10(8-26-2)13(24-25(12)14)9-3-5-11(6-4-9)27-16(19,20)21;1-9(17)15-23-22-14-6-21-13(7-24(14)15)12-4-3-11(26-16(18,19)20)5-10(12)8-25-2;1-9(17)15-23-22-14-6-21-12(7-24(14)15)10-3-4-13(26-16(18,19)20)11(5-10)8-25-2;1-9(17)15-23-22-14-6-21-13(7-24(14)15)12-4-3-11(16(18,19)20)5-10(12)8-25-2;1-8-12-22-23-13(14(2,16)17)24(12)7-11(21-8)9-3-5-10(6-4-9)25-15(18,19)20;1-8-7-11-21-22-13(14(2,16)17)24(11)23-12(8)9-3-5-10(6-4-9)25-15(18,19)20/h3-7H,8H2,1-2H3;2*3-7,9H,8H2,1-2H3;3-7,9H,8H2,1-2H3;2*3-7H,1-2H3
• InChIKey: ZUANENZKNQZHIB-UHFFFAOYSA-N
• XLogP: 23.89
• TPSA: 341.55 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2199.75
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 162220345) is 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is COCc1cc(-c2cn3c(C(C)F)nnc3cn2)ccc1OC(F)(F)F.COCc1cc(C(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.COCc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)cn2c(C(C)(F)F)nnc12.

What is the InChIKey of 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is ZUANENZKNQZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N4O2.2C16H14F4N4O2.C16H14F4N4O.2C15H11F5N4O/c1-15(17,18)14-23-22-12-7-10(8-26-2)13(24-25(12)14)9-3-5-11(6-4-9)27-16(19,20)21;1-9(17)15-23-22-14-6-21-13(7-24(14)15)12-4-3-11(26-16(18,19)20)5-10(12)8-25-2;1-9(17)15-23-22-14-6-21-12(7-24(14)15)10-3-4-13(26-16(18,19)20)11(5-10)8-25-2;1-9(17)15-23-22-14-6-21-13(7-24(14)15)12-4-3-11(16(18,19)20)5-10(12)8-25-2;1-8-12-22-23-13(14(2,16)17)24(12)7-11(21-8)9-3-5-10(6-4-9)25-15(18,19)20;1-8-7-11-21-22-13(14(2,16)17)24(11)23-12(8)9-3-5-10(6-4-9)25-15(18,19)20/h3-7H,8H2,1-2H3;2*3-7,9H,8H2,1-2H3;3-7,9H,8H2,1-2H3;2*3-7H,1-2H3.

What are the key properties of 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?

3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 2199.75 g/mol, XLogP of 23.89, 25 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 162220345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).