2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide

C24H25N5O2S — CID 51369900

About 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide

2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide (PubChem CID 51369900) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide
• PubChem CID: 51369900
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide
• SMILES: CCc1ccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1
• InChI: InChI=1S/C24H25N5O2S/c1-4-18-6-8-19(9-7-18)14-26-21(30)15-29-24(31)28-12-11-25-23(22(28)27-29)32-20-10-5-16(2)13-17(20)3/h5-13H,4,14-15H2,1-3H3,(H,26,30)
• InChIKey: PLMPRKDKIFRLMZ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide?

The IUPAC name of 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide (CID 51369900) is 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide.

What is the SMILES notation for 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide?

The canonical SMILES for 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide is CCc1ccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1.

What is the InChIKey of 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide?

The InChIKey is PLMPRKDKIFRLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-4-18-6-8-19(9-7-18)14-26-21(30)15-29-24(31)28-12-11-25-23(22(28)27-29)32-20-10-5-16(2)13-17(20)3/h5-13H,4,14-15H2,1-3H3,(H,26,30).

What are the key properties of 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide?

2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide has a molecular weight of 447.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-ethylphenyl)methyl]acetamide is sourced from PubChem (CID 51369900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).