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

C63H53F17N16O6 — CID 160842303

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

3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 160842303) has the molecular formula C63H53F17N16O6 and a molecular weight of 1453.19 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 160842303
• Molecular Formula: C63H53F17N16O6
• Molecular Weight: 1453.19 g/mol
• Exact Mass: 1452.41
• IUPAC Name: 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: COCc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)ccc1C(F)(F)F.COCc1cc(-c2ccc3nnc(C(C)F)n3n2)ccc1OC(F)(F)F.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1.Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1
• InChI: InChI=1S/C16H13F5N4O.2C16H14F4N4O2.C15H12F4N4O/c1-15(17,18)14-23-22-13-6-5-12(24-25(13)14)9-3-4-11(16(19,20)21)10(7-9)8-26-2;1-9(17)15-22-21-14-6-4-12(23-24(14)15)10-3-5-13(26-16(18,19)20)11(7-10)8-25-2;1-9(17)15-22-21-14-6-5-13(23-24(14)15)12-4-3-11(26-16(18,19)20)7-10(12)8-25-2;1-8-7-10(24-15(17,18)19)3-4-11(8)12-5-6-13-20-21-14(9(2)16)23(13)22-12/h3-7H,8H2,1-2H3;2*3-7,9H,8H2,1-2H3;3-7,9H,1-2H3
• InChIKey: SIEOOLKTMIDERA-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 227.70 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1453.19
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 160842303) is 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

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

The canonical SMILES for 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is COCc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)ccc1C(F)(F)F.COCc1cc(-c2ccc3nnc(C(C)F)n3n2)ccc1OC(F)(F)F.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1.Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1.

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

The InChIKey is SIEOOLKTMIDERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N4O.2C16H14F4N4O2.C15H12F4N4O/c1-15(17,18)14-23-22-13-6-5-12(24-25(13)14)9-3-4-11(16(19,20)21)10(7-9)8-26-2;1-9(17)15-22-21-14-6-4-12(23-24(14)15)10-3-5-13(26-16(18,19)20)11(7-10)8-25-2;1-9(17)15-22-21-14-6-5-13(23-24(14)15)12-4-3-11(26-16(18,19)20)7-10(12)8-25-2;1-8-7-10(24-15(17,18)19)3-4-11(8)12-5-6-13-20-21-14(9(2)16)23(13)22-12/h3-7H,8H2,1-2H3;2*3-7,9H,8H2,1-2H3;3-7,9H,1-2H3.

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

3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 1453.19 g/mol, XLogP of 15.83, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 160842303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).