2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol

C18H23N5O3 — CID 126911775

About 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol

2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol (PubChem CID 126911775) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol.

Molecular Properties

• Compound Name: 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol
• PubChem CID: 126911775
• Molecular Formula: C18H23N5O3
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.18
• IUPAC Name: 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol
• SMILES: COc1ccc2nnc(C3CCN(CC(O)c4ccc(C)o4)CC3)n2n1
• InChI: InChI=1S/C18H23N5O3/c1-12-3-4-15(26-12)14(24)11-22-9-7-13(8-10-22)18-20-19-16-5-6-17(25-2)21-23(16)18/h3-6,13-14,24H,7-11H2,1-2H3
• InChIKey: DEOLZQNOLXKECI-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 88.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol?

The IUPAC name of 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol (CID 126911775) is 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol.

What is the SMILES notation for 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol?

The canonical SMILES for 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol is COc1ccc2nnc(C3CCN(CC(O)c4ccc(C)o4)CC3)n2n1.

What is the InChIKey of 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol?

The InChIKey is DEOLZQNOLXKECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-3-4-15(26-12)14(24)11-22-9-7-13(8-10-22)18-20-19-16-5-6-17(25-2)21-23(16)18/h3-6,13-14,24H,7-11H2,1-2H3.

What are the key properties of 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol?

2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol has a molecular weight of 357.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol is sourced from PubChem (CID 126911775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).