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

C18H22N8O — CID 126910050

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

[6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (PubChem CID 126910050) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is [6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[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-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
• PubChem CID: 126910050
• Molecular Formula: C18H22N8O
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.19
• IUPAC Name: [6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
• SMILES: Cc1ccc2nnc(C3CCN(C(=O)c4ccc(N(C)C)nn4)CC3)n2n1
• InChI: InChI=1S/C18H22N8O/c1-12-4-6-16-21-22-17(26(16)23-12)13-8-10-25(11-9-13)18(27)14-5-7-15(20-19-14)24(2)3/h4-7,13H,8-11H2,1-3H3
• InChIKey: QWNYKZAQRIIPQX-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 92.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[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-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (CID 126910050) is [6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[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-methyl-[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-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is Cc1ccc2nnc(C3CCN(C(=O)c4ccc(N(C)C)nn4)CC3)n2n1.

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

The InChIKey is QWNYKZAQRIIPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-12-4-6-16-21-22-17(26(16)23-12)13-8-10-25(11-9-13)18(27)14-5-7-15(20-19-14)24(2)3/h4-7,13H,8-11H2,1-3H3.

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

[6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 366.43 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126910050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).