1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone

C20H29N7O — CID 126921884

About 1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone

1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone (PubChem CID 126921884) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone
• PubChem CID: 126921884
• Molecular Formula: C20H29N7O
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.24
• IUPAC Name: 1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCCC(CN(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)C1
• InChI: InChI=1S/C20H29N7O/c1-14(28)25-9-3-4-15(11-25)10-24(2)17-12-26(13-17)19-8-7-18-21-22-20(16-5-6-16)27(18)23-19/h7-8,15-17H,3-6,9-13H2,1-2H3
• InChIKey: YQZKRCMIRICEFQ-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 69.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone (CID 126921884) is 1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(CN(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)C1.

What is the InChIKey of 1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone?

The InChIKey is YQZKRCMIRICEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-14(28)25-9-3-4-15(11-25)10-24(2)17-12-26(13-17)19-8-7-18-21-22-20(16-5-6-16)27(18)23-19/h7-8,15-17H,3-6,9-13H2,1-2H3.

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

1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone has a molecular weight of 383.50 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126921884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).