2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

C22H25FN8O3Si — CID 70106005

About 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 70106005) has the molecular formula C22H25FN8O3Si and a molecular weight of 496.58 g/mol. Its IUPAC name is 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 70106005
• Molecular Formula: C22H25FN8O3Si
• Molecular Weight: 496.58 g/mol
• Exact Mass: 496.18
• IUPAC Name: 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1ncnc1COc1nn2c(-c3cc(CF)on3)nnc2c2ccccc12
• InChI: InChI=1S/C22H25FN8O3Si/c1-35(2,3)9-8-32-14-30-19(24-13-25-30)12-33-22-17-7-5-4-6-16(17)20-26-27-21(31(20)28-22)18-10-15(11-23)34-29-18/h4-7,10,13H,8-9,11-12,14H2,1-3H3
• InChIKey: YOFPBJUAYWATGA-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 118.28 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.58
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (CID 70106005) is 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncnc1COc1nn2c(-c3cc(CF)on3)nnc2c2ccccc12.

What is the InChIKey of 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is YOFPBJUAYWATGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O3Si/c1-35(2,3)9-8-32-14-30-19(24-13-25-30)12-33-22-17-7-5-4-6-16(17)20-26-27-21(31(20)28-22)18-10-15(11-23)34-29-18/h4-7,10,13H,8-9,11-12,14H2,1-3H3.

What are the key properties of 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 496.58 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[[3-[5-(fluoromethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 70106005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).