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

C21H27N9O — CID 126912328

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

[6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (PubChem CID 126912328) has the molecular formula C21H27N9O and a molecular weight of 421.51 g/mol. Its IUPAC name is [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
• PubChem CID: 126912328
• Molecular Formula: C21H27N9O
• Molecular Weight: 421.51 g/mol
• Exact Mass: 421.23
• IUPAC Name: [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
• SMILES: CN(C)c1ccc(C(=O)N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)nn1
• InChI: InChI=1S/C21H27N9O/c1-27(2)17-6-5-16(22-23-17)21(31)29-13-9-15(10-14-29)20-25-24-18-7-8-19(26-30(18)20)28-11-3-4-12-28/h5-8,15H,3-4,9-14H2,1-2H3
• InChIKey: HANDHNZIAURAEW-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 95.65 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.51
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (CID 126912328) is [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)nn1.

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

The InChIKey is HANDHNZIAURAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N9O/c1-27(2)17-6-5-16(22-23-17)21(31)29-13-9-15(10-14-29)20-25-24-18-7-8-19(26-30(18)20)28-11-3-4-12-28/h5-8,15H,3-4,9-14H2,1-2H3.

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

[6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 421.51 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126912328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).