TL;DR: 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-methyl-1-piperazinyl)-6-phenyl- (CAS 153901-50-9) is a chemical compound with molecular formula C21H22N6 and molecular weight 358.19058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-methylpiperazin-1-yl)-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Also Known As: 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-methyl-1-piperazinyl)-6-phenyl-, 5-(4-Methyl-1-piperazinyl)-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-Methylpiperazin-1-yl)-6-phenyl-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 5-(4-methylpiperazin-1-yl)-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 8-(4-methylpiperazin-1-yl)-9-phenyl-2,4,5,9-tetraazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,7,10,12-hexaene
| Molecular Formula | C21H22N6 |
| Molecular Weight | 358.19058 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 40.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.19058 Da |
| Heavy Atoms | 27 |
| Complexity | 537.0 |
| SMILES | CN1CCN(CC1)C2=CC3=NN=CN3C4=CC=CC=C4N2C5=CC=CC=C5 |
| InChIKey | FWTZLWWGUGYSFZ-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-methyl-1-piperazinyl)-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.4 Ų, 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-methyl-1-piperazinyl)-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-methyl-1-piperazinyl)-6-phenyl- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-methyl-1-piperazinyl)-6-phenyl- is 153901-50-9.
The molecular formula of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-methyl-1-piperazinyl)-6-phenyl- is C21H22N6.
The molecular weight of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-methyl-1-piperazinyl)-6-phenyl- is 358.19058 g/mol.
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