[4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone

C₂₂H₂₅FN₈O — CID 90600961

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone (PubChem CID 90600961) has the molecular formula C₂₂H₂₅FN₈O and a molecular weight of 436.50 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: [4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
• PubChem CID: 90600961
• Molecular Formula: C₂₂H₂₅FN₈O
• Molecular Weight: 436.50 g/mol
• Exact Mass: 436.21
• IUPAC Name: [4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
• SMILES: O=C(C1CCCN(c2ccc(-n3cncn3)nn2)C1)N1CCN(c2ccccc2F)CC1
• InChI: InChI=1S/C22H25FN8O/c23-18-5-1-2-6-19(18)28-10-12-29(13-11-28)22(32)17-4-3-9-30(14-17)20-7-8-21(27-26-20)31-16-24-15-25-31/h1-2,5-8,15-17H,3-4,9-14H2
• InChIKey: OJYGUDHEIHWRTR-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 83.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.50
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone (CID 90600961) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone.

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

The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone is O=C(C1CCCN(c2ccc(-n3cncn3)nn2)C1)N1CCN(c2ccccc2F)CC1.

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

The InChIKey is OJYGUDHEIHWRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O/c23-18-5-1-2-6-19(18)28-10-12-29(13-11-28)22(32)17-4-3-9-30(14-17)20-7-8-21(27-26-20)31-16-24-15-25-31/h1-2,5-8,15-17H,3-4,9-14H2.

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

[4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone has a molecular weight of 436.50 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 90600961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90600961 — identifiers, structure, computed properties (public domain)

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