2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide

C21H19N5O2 — CID 50927038

About 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide

2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide (PubChem CID 50927038) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide
• PubChem CID: 50927038
• Molecular Formula: C21H19N5O2
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.15
• IUPAC Name: 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide
• SMILES: Cc1cccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)c1
• InChI: InChI=1S/C21H19N5O2/c1-14-7-6-10-17(11-14)23-20(27)13-25-21(28)26-15(2)22-18(12-19(26)24-25)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,23,27)
• InChIKey: HALJEISGMCKOOV-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide?

The IUPAC name of 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide (CID 50927038) is 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide.

What is the SMILES notation for 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide?

The canonical SMILES for 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)c1.

What is the InChIKey of 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide?

The InChIKey is HALJEISGMCKOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-7-6-10-17(11-14)23-20(27)13-25-21(28)26-15(2)22-18(12-19(26)24-25)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,23,27).

What are the key properties of 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide?

2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 50927038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).