5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol

C69H77FN24O3S2 — CID 158214055

About 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol

5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol (PubChem CID 158214055) has the molecular formula C69H77FN24O3S2 and a molecular weight of 1373.67 g/mol. Its IUPAC name is 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol.

Molecular Properties

• Compound Name: 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol
• PubChem CID: 158214055
• Molecular Formula: C69H77FN24O3S2
• Molecular Weight: 1373.67 g/mol
• Exact Mass: 1372.60
• IUPAC Name: 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol
• SMILES: CC1(C)CC(n2nnc3cc(-c4ccc(-c5cc(F)c6n[nH]nc6c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ncns5)cc4O)nnc32)CC(C)(C)N1.Cc1cnc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)s1
• InChI: InChI=1S/C25H26FN9O.C23H27N7OS.C21H24N8OS/c1-24(2)11-15(12-25(3,4)32-24)35-23-20(29-34-35)10-18(27-31-23)16-6-5-13(9-21(16)36)14-7-17(26)22-19(8-14)28-33-30-22;1-13-12-24-21(32-13)14-6-7-16(19(31)8-14)17-9-18-20(27-25-17)30(29-26-18)15-10-22(2,3)28-23(4,5)11-15;1-20(2)9-13(10-21(3,4)27-20)29-18-16(25-28-29)8-15(24-26-18)14-6-5-12(7-17(14)30)19-22-11-23-31-19/h5-10,15,32,36H,11-12H2,1-4H3,(H,28,30,33);6-9,12,15,28,31H,10-11H2,1-5H3;5-8,11,13,27,30H,9-10H2,1-4H3
• InChIKey: GCKRVQDTOXXZMR-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 346.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1373.67
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol?

The IUPAC name of 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol (CID 158214055) is 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol.

What is the SMILES notation for 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol?

The canonical SMILES for 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol is CC1(C)CC(n2nnc3cc(-c4ccc(-c5cc(F)c6n[nH]nc6c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ncns5)cc4O)nnc32)CC(C)(C)N1.Cc1cnc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)s1.

What is the InChIKey of 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol?

The InChIKey is GCKRVQDTOXXZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN9O.C23H27N7OS.C21H24N8OS/c1-24(2)11-15(12-25(3,4)32-24)35-23-20(29-34-35)10-18(27-31-23)16-6-5-13(9-21(16)36)14-7-17(26)22-19(8-14)28-33-30-22;1-13-12-24-21(32-13)14-6-7-16(19(31)8-14)17-9-18-20(27-25-17)30(29-26-18)15-10-22(2,3)28-23(4,5)11-15;1-20(2)9-13(10-21(3,4)27-20)29-18-16(25-28-29)8-15(24-26-18)14-6-5-12(7-17(14)30)19-22-11-23-31-19/h5-10,15,32,36H,11-12H2,1-4H3,(H,28,30,33);6-9,12,15,28,31H,10-11H2,1-5H3;5-8,11,13,27,30H,9-10H2,1-4H3.

What are the key properties of 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol?

5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol has a molecular weight of 1373.67 g/mol, XLogP of 12.25, 9 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-fluoro-2H-benzotriazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-methyl-1,3-thiazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-thiadiazol-5-yl)phenol is sourced from PubChem (CID 158214055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).