2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide

C15H17N5O2 — CID 136875242

About 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide

2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide (PubChem CID 136875242) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
• PubChem CID: 136875242
• Molecular Formula: C15H17N5O2
• Molecular Weight: 299.33 g/mol
• Exact Mass: 299.14
• IUPAC Name: 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
• SMILES: Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccccc1C)C(=O)N2
• InChI: InChI=1S/C15H17N5O2/c1-9-5-3-4-6-12(9)17-13(21)7-11-8-20-15(18-14(11)22)16-10(2)19-20/h3-6,11H,7-8H2,1-2H3,(H,17,21)(H,16,18,19,22)/t11-/m1/s1
• InChIKey: JSFNWEYZGADTEL-LLVKDONJSA-N
• XLogP: 1.49
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.33
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide?

The IUPAC name of 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide (CID 136875242) is 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide.

What is the SMILES notation for 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide?

The canonical SMILES for 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide is Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccccc1C)C(=O)N2.

What is the InChIKey of 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide?

The InChIKey is JSFNWEYZGADTEL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-5-3-4-6-12(9)17-13(21)7-11-8-20-15(18-14(11)22)16-10(2)19-20/h3-6,11H,7-8H2,1-2H3,(H,17,21)(H,16,18,19,22)/t11-/m1/s1.

What are the key properties of 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide?

2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 136875242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).