N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide

C24H24FN5O2 — CID 50795844

About N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide

N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide (PubChem CID 50795844) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide
• PubChem CID: 50795844
• Molecular Formula: C24H24FN5O2
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.19
• IUPAC Name: N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(CC(=O)NCc1ccccc1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12
• InChI: InChI=1S/C24H24FN5O2/c1-24(2,15-21(31)26-16-17-7-4-3-5-8-17)14-20-27-28-22-23(32)29(11-12-30(20)22)19-10-6-9-18(25)13-19/h3-13H,14-16H2,1-2H3,(H,26,31)
• InChIKey: UCXCPNNZSDNVOC-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide?

The IUPAC name of N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide (CID 50795844) is N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide?

The canonical SMILES for N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide is CC(C)(CC(=O)NCc1ccccc1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12.

What is the InChIKey of N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide?

The InChIKey is UCXCPNNZSDNVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-24(2,15-21(31)26-16-17-7-4-3-5-8-17)14-20-27-28-22-23(32)29(11-12-30(20)22)19-10-6-9-18(25)13-19/h3-13H,14-16H2,1-2H3,(H,26,31).

What are the key properties of N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide?

N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide has a molecular weight of 433.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 50795844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).