TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,1-diphenyl-N-ethyl- (CAS 133118-19-1) is a chemical compound with molecular formula C24H21N5 and molecular weight 379.1797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
Also Known As: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,1-diphenyl-N-ethyl-, N,1-Diphenyl-N-ethyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N-ethyl-N,1-diphenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine, 1-Phenyl-5-(ethylphenylamino)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, N-ethyl-N-phenyl-1-phenyl-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepin-5-amine
| Molecular Formula | C24H21N5 |
| Molecular Weight | 379.1797 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1797 Da |
| Heavy Atoms | 29 |
| Complexity | 566.0 |
| SMILES | CCN(C1=NC2=CC=CC=C2N3C(=NN=C3C4=CC=CC=C4)C1)C5=CC=CC=C5 |
| InChIKey | UEQBCKHDSBUCLS-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,1-diphenyl-N-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,1-diphenyl-N-ethyl- 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)benzodiazepin-5-amine, N,1-diphenyl-N-ethyl- 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)benzodiazepin-5-amine, N,1-diphenyl-N-ethyl- is 133118-19-1.
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,1-diphenyl-N-ethyl- is C24H21N5.
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,1-diphenyl-N-ethyl- is 379.1797 g/mol.
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