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

C20H18N6O2 — CID 53156776

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

2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide (PubChem CID 53156776) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide
• PubChem CID: 53156776
• Molecular Formula: C20H18N6O2
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.15
• IUPAC Name: 2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)Cn2nc3cc(-c4ccccn4)nc(C)n3c2=O)cc1
• InChI: InChI=1S/C20H18N6O2/c1-13-6-8-15(9-7-13)23-19(27)12-25-20(28)26-14(2)22-17(11-18(26)24-25)16-5-3-4-10-21-16/h3-11H,12H2,1-2H3,(H,23,27)
• InChIKey: KFDQZQHOUDKPIX-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 94.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide (CID 53156776) is 2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide.

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

The canonical SMILES for 2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc3cc(-c4ccccn4)nc(C)n3c2=O)cc1.

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

The InChIKey is KFDQZQHOUDKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-6-8-15(9-7-13)23-19(27)12-25-20(28)26-14(2)22-17(11-18(26)24-25)16-5-3-4-10-21-16/h3-11H,12H2,1-2H3,(H,23,27).

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

2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 53156776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).