3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone

C22H26N6O2 — CID 126911894

About 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone

3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone (PubChem CID 126911894) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone
• PubChem CID: 126911894
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone
• SMILES: CN(C)c1ccc2nnc(C3CCN(C(=O)C4CCc5ccccc5O4)CC3)n2n1
• InChI: InChI=1S/C22H26N6O2/c1-26(2)20-10-9-19-23-24-21(28(19)25-20)16-11-13-27(14-12-16)22(29)18-8-7-15-5-3-4-6-17(15)30-18/h3-6,9-10,16,18H,7-8,11-14H2,1-2H3
• InChIKey: LLGIZZIINGJWAB-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 75.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone (CID 126911894) is 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone is CN(C)c1ccc2nnc(C3CCN(C(=O)C4CCc5ccccc5O4)CC3)n2n1.

What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone?

The InChIKey is LLGIZZIINGJWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-26(2)20-10-9-19-23-24-21(28(19)25-20)16-11-13-27(14-12-16)22(29)18-8-7-15-5-3-4-6-17(15)30-18/h3-6,9-10,16,18H,7-8,11-14H2,1-2H3.

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

3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone has a molecular weight of 406.49 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 126911894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).