TL;DR: RefChem:72318 (CAS 1566617-11-5) is a chemical compound with molecular formula C7H9N5O3 and molecular weight 211.07054 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione
Also Known As: 2-Methylimidazole, isocyanuric acid adduct, 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, reaction products with 2-methyl-1H-imidazole, 2-methyl-1H-imidazole; 1,3,5-triazinane-2,4,6-trione, 1,3,5-Triazine-2,4,6-triol--2-methyl-1H-imidazole (1/1), 2-Methyl-1H-imidazole, adduct with 1,3,5-triazine-2,4,6(1H,3H,5H)-trione, hydrate
| Molecular Formula | C7H9N5O3 |
| Molecular Weight | 211.07054 g/mol |
| XLogP | -1.53038 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.07054 Da |
| Heavy Atoms | 15 |
| Complexity | 180.0 |
| SMILES | CC1=NC=CN1.C1(=O)NC(=O)NC(=O)N1 |
| InChIKey | QXSNXUCNBZLVFM-UHFFFAOYSA-N |
The XLogP value of -1.53038 indicates that RefChem:72318 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:72318. Following Lipinski's Rule of Five, RefChem:72318 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:72318 is 1566617-11-5.
The molecular formula of RefChem:72318 is C7H9N5O3.
The molecular weight of RefChem:72318 is 211.07054 g/mol.
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