5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol

C69H84N23O3+ — CID 158216106

About 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol

5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol (PubChem CID 158216106) has the molecular formula C69H84N23O3+ and a molecular weight of 1283.59 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol.

Molecular Properties

• Compound Name: 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol
• PubChem CID: 158216106
• Molecular Formula: C69H84N23O3+
• Molecular Weight: 1283.59 g/mol
• Exact Mass: 1282.71
• IUPAC Name: 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol
• SMILES: CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccnc(N)c5)cc4O)nnc32)CC(C)(C)N1.Cn1cc(-c2ccc(-c3cc4cnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)cn1.Cn1cc2cc(-c3cc4n[nH][n+](C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)cc2n1
• InChI: InChI=1S/C24H28N8O.C24H29N7O.C21H26N8O/c1-23(2)12-16(13-24(3,4)30-23)32-22-19(28-31-32)11-18(27-29-22)17-6-5-14(9-20(17)33)15-7-8-26-21(25)10-15;1-23(2)10-18(11-24(3,4)29-23)31-22-16(12-26-31)8-20(27-28-22)19-7-6-15(9-21(19)32)17-13-25-30(5)14-17;1-20(2)9-13(10-21(3,4)26-20)29-19-17(23-27-29)7-16(22-24-19)14-6-12-11-28(5)25-15(12)8-18(14)30/h5-11,16,30,33H,12-13H2,1-4H3,(H2,25,26);6-9,12-14,18,29,32H,10-11H2,1-5H3;6-8,11,13,26H,9-10H2,1-5H3,(H,25,30)/p+1
• InChIKey: VGFAOYUWWKGYEE-UHFFFAOYSA-O
• XLogP: 10.18
• TPSA: 329.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1283.59
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol?

The IUPAC name of 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol (CID 158216106) is 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol.

What is the SMILES notation for 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol?

The canonical SMILES for 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol is CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccnc(N)c5)cc4O)nnc32)CC(C)(C)N1.Cn1cc(-c2ccc(-c3cc4cnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)cn1.Cn1cc2cc(-c3cc4n[nH][n+](C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)cc2n1.

What is the InChIKey of 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol?

The InChIKey is VGFAOYUWWKGYEE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N8O.C24H29N7O.C21H26N8O/c1-23(2)12-16(13-24(3,4)30-23)32-22-19(28-31-32)11-18(27-29-22)17-6-5-14(9-20(17)33)15-7-8-26-21(25)10-15;1-23(2)10-18(11-24(3,4)29-23)31-22-16(12-26-31)8-20(27-28-22)19-7-6-15(9-21(19)32)17-13-25-30(5)14-17;1-20(2)9-13(10-21(3,4)26-20)29-19-17(23-27-29)7-16(22-24-19)14-6-12-11-28(5)25-15(12)8-18(14)30/h5-11,16,30,33H,12-13H2,1-4H3,(H2,25,26);6-9,12-14,18,29,32H,10-11H2,1-5H3;6-8,11,13,26H,9-10H2,1-5H3,(H,25,30)/p+1.

What are the key properties of 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol?

5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol has a molecular weight of 1283.59 g/mol, XLogP of 10.18, 8 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;2-methyl-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazolo[4,5-c]pyridazin-3-ium-6-yl]indazol-6-ol is sourced from PubChem (CID 158216106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).