TL;DR: 6-tert-butyl-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 162207-96-7) is a chemical compound with molecular formula C14H16N4S and molecular weight 272.10956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-tert-butyl-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 6-tert-butyl-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, BRD-K21306839-001-01-6, 6-(tert-butyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(tert-butyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazine
| Molecular Formula | C14H16N4S |
| Molecular Weight | 272.10956 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.10956 Da |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
| SMILES | CC(C)(C)C1=NN2C(=NN=C2SC1)C3=CC=CC=C3 |
| InChIKey | HFQCWXSBSSZQNC-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 6-tert-butyl-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-butyl-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, 6-tert-butyl-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has 0 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 6-tert-butyl-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 162207-96-7.
The molecular formula of 6-tert-butyl-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C14H16N4S.
The molecular weight of 6-tert-butyl-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 272.10956 g/mol.
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