1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

C18H26N8O — CID 122336175

About 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 122336175) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
• PubChem CID: 122336175
• Molecular Formula: C18H26N8O
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.22
• IUPAC Name: 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
• SMILES: CC1CCN(c2ccc(N3CCN(C(=O)Cn4cncn4)CC3)nn2)CC1
• InChI: InChI=1S/C18H26N8O/c1-15-4-6-23(7-5-15)16-2-3-17(22-21-16)24-8-10-25(11-9-24)18(27)12-26-14-19-13-20-26/h2-3,13-15H,4-12H2,1H3
• InChIKey: VNEOEBDKENWWJE-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 83.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?

The IUPAC name of 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 122336175) is 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

What is the SMILES notation for 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?

The canonical SMILES for 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is CC1CCN(c2ccc(N3CCN(C(=O)Cn4cncn4)CC3)nn2)CC1.

What is the InChIKey of 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?

The InChIKey is VNEOEBDKENWWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O/c1-15-4-6-23(7-5-15)16-2-3-17(22-21-16)24-8-10-25(11-9-24)18(27)12-26-14-19-13-20-26/h2-3,13-15H,4-12H2,1H3.

What are the key properties of 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?

1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 370.46 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 122336175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).