2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C19H20FN7O2 — CID 121145916

About 2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 121145916) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 121145916
• Molecular Formula: C19H20FN7O2
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.17
• IUPAC Name: 2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
• SMILES: CC(Oc1ccc(F)cc1)C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1
• InChI: InChI=1S/C19H20FN7O2/c1-14(29-16-4-2-15(20)3-5-16)19(28)26-10-8-25(9-11-26)17-6-7-18(24-23-17)27-13-21-12-22-27/h2-7,12-14H,8-11H2,1H3
• InChIKey: RNDPZUNECPLHPV-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 89.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 121145916) is 2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

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

The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is CC(Oc1ccc(F)cc1)C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1.

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

The InChIKey is RNDPZUNECPLHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O2/c1-14(29-16-4-2-15(20)3-5-16)19(28)26-10-8-25(9-11-26)17-6-7-18(24-23-17)27-13-21-12-22-27/h2-7,12-14H,8-11H2,1H3.

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

2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 397.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121145916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).