2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C17H19N5O2 — CID 147323186

About 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 147323186) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
• PubChem CID: 147323186
• Molecular Formula: C17H19N5O2
• Molecular Weight: 325.37 g/mol
• Exact Mass: 325.15
• IUPAC Name: 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
• SMILES: Cc1ccc([C@H](C)NC(=O)Cn2nc3cnc(C)cn3c2=O)cc1
• InChI: InChI=1S/C17H19N5O2/c1-11-4-6-14(7-5-11)13(3)19-16(23)10-22-17(24)21-9-12(2)18-8-15(21)20-22/h4-9,13H,10H2,1-3H3,(H,19,23)/t13-/m0/s1
• InChIKey: DAEYHMKWNKIYFC-ZDUSSCGKSA-N
• XLogP: 1.39
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.37
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

The IUPAC name of 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 147323186) is 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

The canonical SMILES for 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)Cn2nc3cnc(C)cn3c2=O)cc1.

What is the InChIKey of 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

The InChIKey is DAEYHMKWNKIYFC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-4-6-14(7-5-11)13(3)19-16(23)10-22-17(24)21-9-12(2)18-8-15(21)20-22/h4-9,13H,10H2,1-3H3,(H,19,23)/t13-/m0/s1.

What are the key properties of 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 147323186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).