6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C15H20N8O — CID 126911606

About 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126911606) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 126911606
• Molecular Formula: C15H20N8O
• Molecular Weight: 328.38 g/mol
• Exact Mass: 328.18
• IUPAC Name: 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: COc1ccc2nnc(C3CCN(CCn4nccn4)CC3)n2n1
• InChI: InChI=1S/C15H20N8O/c1-24-14-3-2-13-18-19-15(23(13)20-14)12-4-8-21(9-5-12)10-11-22-16-6-7-17-22/h2-3,6-7,12H,4-5,8-11H2,1H3
• InChIKey: QDICOTZTPUDROO-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 86.26 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.38
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126911606) is 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc2nnc(C3CCN(CCn4nccn4)CC3)n2n1.

What is the InChIKey of 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is QDICOTZTPUDROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-24-14-3-2-13-18-19-15(23(13)20-14)12-4-8-21(9-5-12)10-11-22-16-6-7-17-22/h2-3,6-7,12H,4-5,8-11H2,1H3.

What are the key properties of 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 328.38 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126911606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).