6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one

C18H27N7O — CID 126912047

About 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one

6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one (PubChem CID 126912047) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one.

Molecular Properties

• Compound Name: 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one
• PubChem CID: 126912047
• Molecular Formula: C18H27N7O
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.23
• IUPAC Name: 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one
• SMILES: CN(C)c1ccc2nnc(C3CCN(CC4CCCC(=O)N4)CC3)n2n1
• InChI: InChI=1S/C18H27N7O/c1-23(2)16-7-6-15-20-21-18(25(15)22-16)13-8-10-24(11-9-13)12-14-4-3-5-17(26)19-14/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,19,26)
• InChIKey: ODOPLKHUNAKLEJ-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one?

The IUPAC name of 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one (CID 126912047) is 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one.

What is the SMILES notation for 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one?

The canonical SMILES for 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one is CN(C)c1ccc2nnc(C3CCN(CC4CCCC(=O)N4)CC3)n2n1.

What is the InChIKey of 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one?

The InChIKey is ODOPLKHUNAKLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-23(2)16-7-6-15-20-21-18(25(15)22-16)13-8-10-24(11-9-13)12-14-4-3-5-17(26)19-14/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,19,26).

What are the key properties of 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one?

6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one has a molecular weight of 357.46 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 126912047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).