TL;DR: 2H-1,2,3-Triazole-4-carbonitrile, 5-chloro-2-(beta-D-ribofuranosyl)- (CAS 106824-88-8) is a chemical compound with molecular formula C8H9ClN4O4 and molecular weight 260.03122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carbonitrile
Also Known As: 2H-1,2,3-Triazole-4-carbonitrile, 5-chloro-2-(beta-D-ribofuranosyl)-, 5-Chloro-2-(beta-D-ribofuranosyl)-2H-1,2,3-triazole-4-carbonitrile, 5-Chloro-2-beta-D-ribofuranosyl-2H-1,2,3-triazole-4-carbonitrile, 5-chloro-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carbonitrile, BRN 5583112
| Molecular Formula | C8H9ClN4O4 |
| Molecular Weight | 260.03122 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.03122 Da |
| Heavy Atoms | 17 |
| Complexity | 337.0 |
| SMILES | C([C@@H]1[C@H]([C@H]([C@@H](O1)N2N=C(C(=N2)Cl)C#N)O)O)O |
| InChIKey | FSKPJWHFGRWBKQ-UAKXSSHOSA-N |
The XLogP value of -0.4 indicates that 2H-1,2,3-Triazole-4-carbonitrile, 5-chloro-2-(beta-D-ribofuranosyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,3-Triazole-4-carbonitrile, 5-chloro-2-(beta-D-ribofuranosyl)-. Following Lipinski's Rule of Five, 2H-1,2,3-Triazole-4-carbonitrile, 5-chloro-2-(beta-D-ribofuranosyl)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-1,2,3-Triazole-4-carbonitrile, 5-chloro-2-(beta-D-ribofuranosyl)- is 106824-88-8.
The molecular formula of 2H-1,2,3-Triazole-4-carbonitrile, 5-chloro-2-(beta-D-ribofuranosyl)- is C8H9ClN4O4.
The molecular weight of 2H-1,2,3-Triazole-4-carbonitrile, 5-chloro-2-(beta-D-ribofuranosyl)- is 260.03122 g/mol.
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