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

C20H22N10O — CID 126912829

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

[6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (PubChem CID 126912829) has the molecular formula C20H22N10O and a molecular weight of 418.47 g/mol. Its IUPAC name is [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrazol-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-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
• PubChem CID: 126912829
• Molecular Formula: C20H22N10O
• Molecular Weight: 418.47 g/mol
• Exact Mass: 418.20
• IUPAC Name: [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
• SMILES: CN(C)c1ccc(C(=O)N2CCC(c3nnc4ccc(-n5cccn5)nn34)CC2)nn1
• InChI: InChI=1S/C20H22N10O/c1-27(2)16-5-4-15(22-23-16)20(31)28-12-8-14(9-13-28)19-25-24-17-6-7-18(26-30(17)19)29-11-3-10-21-29/h3-7,10-11,14H,8-9,12-13H2,1-2H3
• InChIKey: CUZIVKUUBRZMQN-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 110.23 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.47
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrazol-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-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (CID 126912829) is [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrazol-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-pyrazol-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-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCC(c3nnc4ccc(-n5cccn5)nn34)CC2)nn1.

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

The InChIKey is CUZIVKUUBRZMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N10O/c1-27(2)16-5-4-15(22-23-16)20(31)28-12-8-14(9-13-28)19-25-24-17-6-7-18(26-30(17)19)29-11-3-10-21-29/h3-7,10-11,14H,8-9,12-13H2,1-2H3.

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

[6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 418.47 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126912829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).