2-((7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)acetic acid
2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetic acid
Also Known As: CHEMBRDG-BB 5560222|CHEMBRDG-BB5560222|2-((7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)acetic acid|W-6895|AG-670/33302062|2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetic acid|[(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]acetic acid|[(7-Hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]aceticacid|[(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetic acid|2-(5-hydroxy-7-methyl-4-hydro-1,2,4-triazolo[1,5-a]pyrimidin-2-ylthio)acetic a cid|2-[(4-methyl-2-oxo-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)sulfanyl]acetic Acid
| Molecular Formula | C8H8N4O3S |
|---|---|
| Molecular Weight | 240.03171 g/mol |
| LogP | -0.09728 |
| Topological Polar Surface Area | 100.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.03171 |
| Monoisotopic Mass | 240.03171 |
| Heavy Atoms | 16 |
| Complexity | 602.8395 |
Chemical Identifiers
| CAS Number | 67740-23-2 |
|---|---|
| SMILES | CC1=CC(=O)N2C(=N1)N=C(N2)SCC(=O)O |
Product Overview
2-((7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)acetic acid (CAS 67740-23-2), with molecular formula C8H8N4O3S and molecular weight 240.03171 g/mol. IUPAC: 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetic acid.