1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C101H83F23N26O8 — CID 158780711

About 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 158780711) has the molecular formula C101H83F23N26O8 and a molecular weight of 2225.90 g/mol. Its IUPAC name is 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 158780711
• Molecular Formula: C101H83F23N26O8
• Molecular Weight: 2225.90 g/mol
• Exact Mass: 2224.65
• IUPAC Name: 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(F)(F)C(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(C4(C#N)CC4)cc3)nn12.CC1(F)CC(c2nnc3ccc(-c4ccc(OC(F)(F)F)cc4)nn23)C1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C3CC(C)(F)C3)n2n1.FC(F)(F)Oc1ccc(-c2ccc3nnc(CC4CCCO4)n3n2)cc1.FC(F)(F)Oc1ccc(-c2ccc3nnc(CC4CCOC4)n3n2)cc1
• InChI: InChI=1S/C18H16F4N4O2.C17H14F4N4O.2C17H15F3N4O2.C17H13F2N5.C15H10F7N5O/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;18-17(19,20)26-13-3-1-12(2-4-13)14-5-6-15-21-22-16(24(15)23-14)9-11-7-8-25-10-11;18-17(19,20)26-12-5-3-11(4-6-12)14-7-8-15-21-22-16(24(15)23-14)10-13-2-1-9-25-13;1-16(18,19)15-22-21-14-7-6-13(23-24(14)15)11-2-4-12(5-3-11)17(10-20)8-9-17;1-13(16,17)15(21,22)12-25-24-10-4-3-9(26-27(10)12)8-2-5-11(23-6-8)28-7-14(18,19)20/h3-7,10H,8-9H2,1-2H3;2-7,11H,8-9H2,1H3;1-6,11H,7-10H2;3-8,13H,1-2,9-10H2;2-7H,8-9H2,1H3;2-6H,7H2,1H3
• InChIKey: IRASUDLCPYULCJ-UHFFFAOYSA-N
• XLogP: 22.61
• TPSA: 369.00 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2225.90
LogP ≤ 5	22.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 158780711) is 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)C(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)nc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(C4(C#N)CC4)cc3)nn12.CC1(F)CC(c2nnc3ccc(-c4ccc(OC(F)(F)F)cc4)nn23)C1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C3CC(C)(F)C3)n2n1.FC(F)(F)Oc1ccc(-c2ccc3nnc(CC4CCCO4)n3n2)cc1.FC(F)(F)Oc1ccc(-c2ccc3nnc(CC4CCOC4)n3n2)cc1.

What is the InChIKey of 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is IRASUDLCPYULCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O2.C17H14F4N4O.2C17H15F3N4O2.C17H13F2N5.C15H10F7N5O/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;18-17(19,20)26-13-3-1-12(2-4-13)14-5-6-15-21-22-16(24(15)23-14)9-11-7-8-25-10-11;18-17(19,20)26-12-5-3-11(4-6-12)14-7-8-15-21-22-16(24(15)23-14)10-13-2-1-9-25-13;1-16(18,19)15-22-21-14-7-6-13(23-24(14)15)11-2-4-12(5-3-11)17(10-20)8-9-17;1-13(16,17)15(21,22)12-25-24-10-4-3-9(26-27(10)12)8-2-5-11(23-6-8)28-7-14(18,19)20/h3-7,10H,8-9H2,1-2H3;2-7,11H,8-9H2,1H3;1-6,11H,7-10H2;3-8,13H,1-2,9-10H2;2-7H,8-9H2,1H3;2-6H,7H2,1H3.

What are the key properties of 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 2225.90 g/mol, XLogP of 22.61, 23 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclopropane-1-carbonitrile;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-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 158780711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).