6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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

C145H117F43N36O15 — CID 160997784

IUPAC6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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
SMILESCC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)c(CO)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3COC(F)F)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC4CC(F)(F)C4)c(F)c3)nn12.COCc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)ccc1OC(F)(F)F.COCc1cc(-c2ccc3nnc(C(C)F)n3n2)ccc1OC(F)(F)F.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1.Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1.Cc1cc(OC2CC(F)(F)C2)ccc1-c1ccc2nnc(C(C)(F)F)n2n1
InChIInChI=1S/C18H16F4N4O.C17H13F5N4O.C16H11F7N4O2.2C16H13F5N4O2.2C16H14F4N4O2.C15H11F5N4O2.C15H12F4N4O/c1-10-7-11(27-12-8-18(21,22)9-12)3-4-13(10)14-5-6-15-23-24-16(17(2,19)20)26(15)25-14;1-16(19,20)15-24-23-14-5-3-12(25-26(14)15)9-2-4-13(11(18)6-9)27-10-7-17(21,22)8-10;1-15(19,20)13-25-24-12-5-4-11(26-27(12)13)10-3-2-9(29-16(21,22)23)6-8(10)7-28-14(17)18;1-15(17,18)14-23-22-13-6-4-11(24-25(13)14)9-3-5-12(27-16(19,20)21)10(7-9)8-26-2;1-15(17,18)14-23-22-13-6-5-12(24-25(13)14)11-4-3-10(27-16(19,20)21)7-9(11)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;1-14(16,17)13-22-21-12-5-3-10(23-24(12)13)8-2-4-11(9(6-8)7-25)26-15(18,19)20;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/h3-7,12H,8-9H2,1-2H3;2-6,10H,7-8H2,1H3;2-6,14H,7H2,1H3;2*3-7H,8H2,1-2H3;2*3-7,9H,8H2,1-2H3;2-6,25H,7H2,1H3;3-7,9H,1-2H3
InChIKeyTVLYPORXYJWHKO-UHFFFAOYSA-N
MW3420.68 g/mol
LogP36.10
Rot. Bonds41

About 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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

6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 160997784) has the molecular formula C145H117F43N36O15 and a molecular weight of 3420.68 g/mol. Its IUPAC name is 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 Name6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 CID160997784
Molecular FormulaC145H117F43N36O15
Molecular Weight3420.68 g/mol
Exact Mass3418.88
IUPAC Name6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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
SMILESCC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)c(CO)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3COC(F)F)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC4CC(F)(F)C4)c(F)c3)nn12.COCc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)ccc1OC(F)(F)F.COCc1cc(-c2ccc3nnc(C(C)F)n3n2)ccc1OC(F)(F)F.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1.Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1.Cc1cc(OC2CC(F)(F)C2)ccc1-c1ccc2nnc(C(C)(F)F)n2n1
InChIInChI=1S/C18H16F4N4O.C17H13F5N4O.C16H11F7N4O2.2C16H13F5N4O2.2C16H14F4N4O2.C15H11F5N4O2.C15H12F4N4O/c1-10-7-11(27-12-8-18(21,22)9-12)3-4-13(10)14-5-6-15-23-24-16(17(2,19)20)26(15)25-14;1-16(19,20)15-24-23-14-5-3-12(25-26(14)15)9-2-4-13(11(18)6-9)27-10-7-17(21,22)8-10;1-15(19,20)13-25-24-12-5-4-11(26-27(12)13)10-3-2-9(29-16(21,22)23)6-8(10)7-28-14(17)18;1-15(17,18)14-23-22-13-6-4-11(24-25(13)14)9-3-5-12(27-16(19,20)21)10(7-9)8-26-2;1-15(17,18)14-23-22-13-6-5-12(24-25(13)14)11-4-3-10(27-16(19,20)21)7-9(11)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;1-14(16,17)13-22-21-12-5-3-10(23-24(12)13)8-2-4-11(9(6-8)7-25)26-15(18,19)20;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/h3-7,12H,8-9H2,1-2H3;2-6,10H,7-8H2,1H3;2-6,14H,7H2,1H3;2*3-7H,8H2,1-2H3;2*3-7,9H,8H2,1-2H3;2-6,25H,7H2,1H3;3-7,9H,1-2H3
InChIKeyTVLYPORXYJWHKO-UHFFFAOYSA-N
XLogP36.10
TPSA537.17 Ų
H-Bond Donors1
H-Bond Acceptors51
Rotatable Bonds41
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003420.68
LogP ≤ 536.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1051

Analyze 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 160997784) is 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)c(CO)c3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3COC(F)F)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC4CC(F)(F)C4)c(F)c3)nn12.COCc1cc(-c2ccc3nnc(C(C)(F)F)n3n2)ccc1OC(F)(F)F.COCc1cc(-c2ccc3nnc(C(C)F)n3n2)ccc1OC(F)(F)F.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1.Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1.Cc1cc(OC2CC(F)(F)C2)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.
What is the InChIKey of 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 TVLYPORXYJWHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O.C17H13F5N4O.C16H11F7N4O2.2C16H13F5N4O2.2C16H14F4N4O2.C15H11F5N4O2.C15H12F4N4O/c1-10-7-11(27-12-8-18(21,22)9-12)3-4-13(10)14-5-6-15-23-24-16(17(2,19)20)26(15)25-14;1-16(19,20)15-24-23-14-5-3-12(25-26(14)15)9-2-4-13(11(18)6-9)27-10-7-17(21,22)8-10;1-15(19,20)13-25-24-12-5-4-11(26-27(12)13)10-3-2-9(29-16(21,22)23)6-8(10)7-28-14(17)18;1-15(17,18)14-23-22-13-6-4-11(24-25(13)14)9-3-5-12(27-16(19,20)21)10(7-9)8-26-2;1-15(17,18)14-23-22-13-6-5-12(24-25(13)14)11-4-3-10(27-16(19,20)21)7-9(11)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;1-14(16,17)13-22-21-12-5-3-10(23-24(12)13)8-2-4-11(9(6-8)7-25)26-15(18,19)20;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/h3-7,12H,8-9H2,1-2H3;2-6,10H,7-8H2,1H3;2-6,14H,7H2,1H3;2*3-7H,8H2,1-2H3;2*3-7,9H,8H2,1-2H3;2-6,25H,7H2,1H3;3-7,9H,1-2H3.
What are the key properties of 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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?
6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 3420.68 g/mol, XLogP of 36.10, 41 rotatable bonds, 1 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(difluoromethoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[5-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(trifluoromethoxy)phenyl]methanol;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 160997784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).