6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

C95H74ClF28N25O12 — CID 158868454

About 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 158868454) has the molecular formula C95H74ClF28N25O12 and a molecular weight of 2325.20 g/mol. Its IUPAC name is 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 158868454
• Molecular Formula: C95H74ClF28N25O12
• Molecular Weight: 2325.20 g/mol
• Exact Mass: 2323.52
• IUPAC Name: 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(F)(F)c1nnc2ccc(-c3cc(OC(F)(F)F)ccc3Cl)nn12.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OCC3CC3)n2n1.COc1cc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OC)n2n1.COc1nc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1ccc(OC(F)(F)F)cc1-c1ccc2nnc(C(C)(F)F)n2n1.FC(F)(F)Oc1ccc(-c2ccc3nnc(CC4CCCOC4)n3n2)cc1
• InChI: InChI=1S/C18H15F5N4O3.C18H17F3N4O2.C16H13F5N4O3.C15H11F5N4O.C14H8ClF5N4O.C14H10F5N5O2/c1-28-14-8-11(30-18(21,22)23)4-5-12(14)13-6-7-15-24-25-16(27(15)26-13)17(19,20)29-9-10-2-3-10;19-18(20,21)27-14-5-3-13(4-6-14)15-7-8-16-22-23-17(25(16)24-15)10-12-2-1-9-26-11-12;1-26-12-7-9(28-8-15(17,18)19)3-4-10(12)11-5-6-13-22-23-14(25(13)24-11)16(20,21)27-2;1-8-3-4-9(25-15(18,19)20)7-10(8)11-5-6-12-21-22-13(14(2,16)17)24(12)23-11;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)12-22-21-9-5-4-8(23-24(9)12)7-3-6-10(20-11(7)25-2)26-14(17,18)19/h4-8,10H,2-3,9H2,1H3;3-8,12H,1-2,9-11H2;3-7H,8H2,1-2H3;3-7H,1-2H3;2-6H,1H3;3-6H,1-2H3
• InChIKey: JBNTVYNLLYUFHZ-UHFFFAOYSA-N
• XLogP: 23.04
• TPSA: 382.13 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2325.20
LogP ≤ 5	23.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 158868454) is 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)c1nnc2ccc(-c3cc(OC(F)(F)F)ccc3Cl)nn12.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OCC3CC3)n2n1.COc1cc(OCC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OC)n2n1.COc1nc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.Cc1ccc(OC(F)(F)F)cc1-c1ccc2nnc(C(C)(F)F)n2n1.FC(F)(F)Oc1ccc(-c2ccc3nnc(CC4CCCOC4)n3n2)cc1.

What is the InChIKey of 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is JBNTVYNLLYUFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N4O3.C18H17F3N4O2.C16H13F5N4O3.C15H11F5N4O.C14H8ClF5N4O.C14H10F5N5O2/c1-28-14-8-11(30-18(21,22)23)4-5-12(14)13-6-7-15-24-25-16(27(15)26-13)17(19,20)29-9-10-2-3-10;19-18(20,21)27-14-5-3-13(4-6-14)15-7-8-16-22-23-17(25(16)24-15)10-12-2-1-9-26-11-12;1-26-12-7-9(28-8-15(17,18)19)3-4-10(12)11-5-6-13-22-23-14(25(13)24-11)16(20,21)27-2;1-8-3-4-9(25-15(18,19)20)7-10(8)11-5-6-12-21-22-13(14(2,16)17)24(12)23-11;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)12-22-21-9-5-4-8(23-24(9)12)7-3-6-10(20-11(7)25-2)26-14(17,18)19/h4-8,10H,2-3,9H2,1H3;3-8,12H,1-2,9-11H2;3-7H,8H2,1-2H3;3-7H,1-2H3;2-6H,1H3;3-6H,1-2H3.

What are the key properties of 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?

6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 2325.20 g/mol, XLogP of 23.04, 27 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-5-(trifluoromethoxy)phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 158868454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).