3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C20H24FN7O — CID 126893230

About 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 126893230) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

• Compound Name: 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
• PubChem CID: 126893230
• Molecular Formula: C20H24FN7O
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.20
• IUPAC Name: 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
• SMILES: Cn1ccn2c(CN3CC(N4CCN(c5ccc(F)cc5)CC4)C3)nnc2c1=O
• InChI: InChI=1S/C20H24FN7O/c1-24-6-11-28-18(22-23-19(28)20(24)29)14-25-12-17(13-25)27-9-7-26(8-10-27)16-4-2-15(21)3-5-16/h2-6,11,17H,7-10,12-14H2,1H3
• InChIKey: XBBVZLVGPIYQFS-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 61.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?

The IUPAC name of 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 126893230) is 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

What is the SMILES notation for 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?

The canonical SMILES for 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is Cn1ccn2c(CN3CC(N4CCN(c5ccc(F)cc5)CC4)C3)nnc2c1=O.

What is the InChIKey of 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?

The InChIKey is XBBVZLVGPIYQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c1-24-6-11-28-18(22-23-19(28)20(24)29)14-25-12-17(13-25)27-9-7-26(8-10-27)16-4-2-15(21)3-5-16/h2-6,11,17H,7-10,12-14H2,1H3.

What are the key properties of 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?

3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 397.46 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 126893230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).