2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol

C23H31N7O — CID 170061128

About 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol

2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol (PubChem CID 170061128) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol.

Molecular Properties

• Compound Name: 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol
• PubChem CID: 170061128
• Molecular Formula: C23H31N7O
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.26
• IUPAC Name: 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol
• SMILES: CCC(c1ccc(-c2ncc(-n3nccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C23H31N7O/c1-6-17(15-12-22(2,3)29-23(4,5)13-15)18-7-8-19(28-27-18)21-20(31)11-16(14-24-21)30-25-9-10-26-30/h7-11,14-15,17,29,31H,6,12-13H2,1-5H3
• InChIKey: WZONIZYGNHUNLK-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 101.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol?

The IUPAC name of 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol (CID 170061128) is 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol.

What is the SMILES notation for 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol?

The canonical SMILES for 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol is CCC(c1ccc(-c2ncc(-n3nccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol?

The InChIKey is WZONIZYGNHUNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-6-17(15-12-22(2,3)29-23(4,5)13-15)18-7-8-19(28-27-18)21-20(31)11-16(14-24-21)30-25-9-10-26-30/h7-11,14-15,17,29,31H,6,12-13H2,1-5H3.

What are the key properties of 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol?

2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol has a molecular weight of 421.55 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol is sourced from PubChem (CID 170061128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).