[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone

C19H24N6O — CID 126912586

About [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone

[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone (PubChem CID 126912586) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone.

Molecular Properties

• Compound Name: [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
• PubChem CID: 126912586
• Molecular Formula: C19H24N6O
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.20
• IUPAC Name: [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
• SMILES: O=C(C1CC=CC1)N1CCC(c2nnc3ccc(N4CCC4)nn23)CC1
• InChI: InChI=1S/C19H24N6O/c26-19(15-4-1-2-5-15)24-12-8-14(9-13-24)18-21-20-16-6-7-17(22-25(16)18)23-10-3-11-23/h1-2,6-7,14-15H,3-5,8-13H2
• InChIKey: XXGUYVOTWLUEBC-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 66.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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]-cyclopent-3-en-1-ylmethanone?

The IUPAC name of [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone (CID 126912586) is [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone.

What is the SMILES notation for [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?

The canonical SMILES for [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone is O=C(C1CC=CC1)N1CCC(c2nnc3ccc(N4CCC4)nn23)CC1.

What is the InChIKey of [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?

The InChIKey is XXGUYVOTWLUEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c26-19(15-4-1-2-5-15)24-12-8-14(9-13-24)18-21-20-16-6-7-17(22-25(16)18)23-10-3-11-23/h1-2,6-7,14-15H,3-5,8-13H2.

What are the key properties of [4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?

[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone has a molecular weight of 352.44 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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]-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 126912586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).