N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

C23H23N5O2S — CID 51364852

About N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (PubChem CID 51364852) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
• PubChem CID: 51364852
• Molecular Formula: C23H23N5O2S
• Molecular Weight: 433.54 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
• SMILES: Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4c(C)cccc4C)nc23)c(C)c1
• InChI: InChI=1S/C23H23N5O2S/c1-14-8-9-18(17(4)12-14)31-22-21-26-28(23(30)27(21)11-10-24-22)13-19(29)25-20-15(2)6-5-7-16(20)3/h5-12H,13H2,1-4H3,(H,25,29)
• InChIKey: LOGBQVOPPNRDIQ-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.54
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

The IUPAC name of N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (CID 51364852) is N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4c(C)cccc4C)nc23)c(C)c1.

What is the InChIKey of N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

The InChIKey is LOGBQVOPPNRDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-8-9-18(17(4)12-14)31-22-21-26-28(23(30)27(21)11-10-24-22)13-19(29)25-20-15(2)6-5-7-16(20)3/h5-12H,13H2,1-4H3,(H,25,29).

What are the key properties of N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide has a molecular weight of 433.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 51364852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).