[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C17H21N7O2 — CID 126911853

About [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 126911853) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
• PubChem CID: 126911853
• Molecular Formula: C17H21N7O2
• Molecular Weight: 355.40 g/mol
• Exact Mass: 355.18
• IUPAC Name: [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
• SMILES: Cc1cc(C(=O)N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)no1
• InChI: InChI=1S/C17H21N7O2/c1-11-10-13(21-26-11)17(25)23-8-6-12(7-9-23)16-19-18-14-4-5-15(22(2)3)20-24(14)16/h4-5,10,12H,6-9H2,1-3H3
• InChIKey: VTCHUFOTQRTTNW-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 92.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.40
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?

The IUPAC name of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 126911853) is [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)no1.

What is the InChIKey of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?

The InChIKey is VTCHUFOTQRTTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-11-10-13(21-26-11)17(25)23-8-6-12(7-9-23)16-19-18-14-4-5-15(22(2)3)20-24(14)16/h4-5,10,12H,6-9H2,1-3H3.

What are the key properties of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?

[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 355.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 126911853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).