TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)- (CAS 137731-17-0) is a chemical compound with molecular formula C16H20N6 and molecular weight 296.17496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Also Known As: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)-, 1-Methyl-5-(4-methyl-1-piperazinyl)-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 3-methyl-8-(4-methylpiperazin-1-yl)-2,4,5,9-tetraazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,8,10,12-hexaene, BRN 4819445
| Molecular Formula | C16H20N6 |
| Molecular Weight | 296.17496 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.17496 Da |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
| SMILES | CC1=NN=C2N1C3=CC=CC=C3N=C(C2)N4CCN(CC4)C |
| InChIKey | ZCFCNSSAQXUJHC-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)-. With a topological polar surface area (TPSA) of 49.6 Ų, 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)- 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 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)- is 137731-17-0.
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)- is C16H20N6.
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)- is 296.17496 g/mol.
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