TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-1-phenyl- (CAS 133118-22-6) is a chemical compound with molecular formula C18H17N5 and molecular weight 303.1484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-1-phenyl-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,N-dimethyl-1-phenyl-, N,N-Dimethyl-1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine, 1-Phenyl-5-(dimethylamino)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, N,N-Dimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-5-amine
| Molecular Formula | C18H17N5 |
| Molecular Weight | 303.1484 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.1484 Da |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
| SMILES | CN(C)C1=NC2=CC=CC=C2N3C(=NN=C3C4=CC=CC=C4)C1 |
| InChIKey | GXNMIPBIXDHBTM-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-1-phenyl-. 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,N-dimethyl-1-phenyl- 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,N-dimethyl-1-phenyl- 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,N-dimethyl-1-phenyl- is 133118-22-6.
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-1-phenyl- is C18H17N5.
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-1-phenyl- is 303.1484 g/mol.
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