TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 1-phenyl-N,N,4-trimethyl- (CAS 133118-18-0) is a chemical compound with molecular formula C19H19N5 and molecular weight 317.16403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
Also Known As: N,N,4-Trimethyl-1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 1-phenyl-N,N,4-trimethyl-, N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine, 1-Phenyl-4-methyl-5-(dimethylamino)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, N,N,7-trimethyl-3-phenyl-2,4,5,9-tetraazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,8,10,12-hexaen-8-amine
| Molecular Formula | C19H19N5 |
| Molecular Weight | 317.16403 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.16403 Da |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
| SMILES | CC1C2=NN=C(N2C3=CC=CC=C3N=C1N(C)C)C4=CC=CC=C4 |
| InChIKey | QRPMJDZDYFAQLP-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 1-phenyl-N,N,4-trimethyl-. With a topological polar surface area (TPSA) of 46.3 Ų, 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 1-phenyl-N,N,4-trimethyl- 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, 1-phenyl-N,N,4-trimethyl- 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, 1-phenyl-N,N,4-trimethyl- is 133118-18-0.
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 1-phenyl-N,N,4-trimethyl- is C19H19N5.
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 1-phenyl-N,N,4-trimethyl- is 317.16403 g/mol.
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