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

C18H21N5O2 — CID 150050373

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

2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 150050373) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
• PubChem CID: 150050373
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: 2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
• SMILES: Cc1ccc([C@H](C)NC(=O)Cn2nc3cc(C)nc(C)n3c2=O)cc1
• InChI: InChI=1S/C18H21N5O2/c1-11-5-7-15(8-6-11)13(3)20-17(24)10-22-18(25)23-14(4)19-12(2)9-16(23)21-22/h5-9,13H,10H2,1-4H3,(H,20,24)/t13-/m0/s1
• InChIKey: DLEOVPISZLBGMK-ZDUSSCGKSA-N
• XLogP: 1.69
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 150050373) is 2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

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

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

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

The InChIKey is DLEOVPISZLBGMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-5-7-15(8-6-11)13(3)20-17(24)10-22-18(25)23-14(4)19-12(2)9-16(23)21-22/h5-9,13H,10H2,1-4H3,(H,20,24)/t13-/m0/s1.

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

2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 150050373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).