[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C18H22N8O — CID 126912589

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

[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 126912589) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
• PubChem CID: 126912589
• Molecular Formula: C18H22N8O
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.19
• IUPAC Name: [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
• SMILES: Cc1cc(C(=O)N2CCC(c3nnc4ccc(N5CCC5)nn34)CC2)n[nH]1
• InChI: InChI=1S/C18H22N8O/c1-12-11-14(20-19-12)18(27)25-9-5-13(6-10-25)17-22-21-15-3-4-16(23-26(15)17)24-7-2-8-24/h3-4,11,13H,2,5-10H2,1H3,(H,19,20)
• InChIKey: AJINGNNWJVYQEW-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 95.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 126912589) is [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

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

The canonical SMILES for [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(c3nnc4ccc(N5CCC5)nn34)CC2)n[nH]1.

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

The InChIKey is AJINGNNWJVYQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-12-11-14(20-19-12)18(27)25-9-5-13(6-10-25)17-22-21-15-3-4-16(23-26(15)17)24-7-2-8-24/h3-4,11,13H,2,5-10H2,1H3,(H,19,20).

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

[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 366.43 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 126912589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).