TL;DR: RB 6110 (CAS 104958-85-2) is a chemical compound with molecular formula C6H9N5O4 and molecular weight 215.06546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-hydroxyethyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Also Known As: RB 6110, N-(2-Hydroxyethyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide, N-(2-hydroxyethyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide, 1H-1,2,4-Triazole-1-acetamide,N-(2-hydroxyethyl)-3-nitro-, J1.552.345J
| Molecular Formula | C6H9N5O4 |
| Molecular Weight | 215.06546 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.06546 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | C1=NC(=NN1CC(=O)NCCO)[N+](=O)[O-] |
| InChIKey | CGPOHMMXMBLSOS-UHFFFAOYSA-N |
The XLogP value of -1.6 indicates that RB 6110 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RB 6110. Following Lipinski's Rule of Five, RB 6110 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RB 6110 is 104958-85-2.
The molecular formula of RB 6110 is C6H9N5O4.
The molecular weight of RB 6110 is 215.06546 g/mol.
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