TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-phenyl-5-(1-pyrrolidinyl)- (CAS 133118-26-0) is a chemical compound with molecular formula C20H19N5 and molecular weight 329.16403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-5-pyrrolidin-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-phenyl-5-(1-pyrrolidinyl)-, 1-Phenyl-5-(1-pyrrolidinyl)-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 1-phenyl-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 1-Phenyl-5-pyrrolizino-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 1-Phenyl-5-(pyrrolidin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
| Molecular Formula | C20H19N5 |
| Molecular Weight | 329.16403 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.16403 Da |
| Heavy Atoms | 25 |
| Complexity | 494.0 |
| SMILES | C1CCN(C1)C2=NC3=CC=CC=C3N4C(=NN=C4C5=CC=CC=C5)C2 |
| InChIKey | YVIPBKRUZNHNRC-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-phenyl-5-(1-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 46.3 Ų, 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-phenyl-5-(1-pyrrolidinyl)- 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-phenyl-5-(1-pyrrolidinyl)- has 0 hydrogen bond donor(s) and 3 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-phenyl-5-(1-pyrrolidinyl)- is 133118-26-0.
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-phenyl-5-(1-pyrrolidinyl)- is C20H19N5.
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-phenyl-5-(1-pyrrolidinyl)- is 329.16403 g/mol.
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