TL;DR: [2-(3-benzyl-1H-1,2,4-triazol-5-yl)ethyl]amine hydrochloride (CAS 1185023-32-8) is a chemical compound with molecular formula C11H14N4 and molecular weight 202.12184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethanamine
Also Known As: 2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethanamine, 3-(Phenylmethyl)-1H-1,2,4-triazole-5-ethanamine, [2-(3-benzyl-1H-1,2,4-triazol-5-yl)ethyl]amine hydrochloride, 2-(3-Benzyl-1H-1,2,4-triazol-5-yl)ethanamine hydrochloride, 2-(5-Benzyl-1H-1,2,4-triazol-3-yl)ethan-1-amine
| Molecular Formula | C11H14N4 |
| Molecular Weight | 202.12184 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.12184 Da |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
| SMILES | C1=CC=C(C=C1)CC2=NC(=NN2)CCN |
| InChIKey | BMMDUPBSLLIHKR-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3-benzyl-1H-1,2,4-triazol-5-yl)ethyl]amine hydrochloride. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(3-benzyl-1H-1,2,4-triazol-5-yl)ethyl]amine hydrochloride. Following Lipinski's Rule of Five, [2-(3-benzyl-1H-1,2,4-triazol-5-yl)ethyl]amine hydrochloride has 2 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 [2-(3-benzyl-1H-1,2,4-triazol-5-yl)ethyl]amine hydrochloride is 1185023-32-8.
The molecular formula of [2-(3-benzyl-1H-1,2,4-triazol-5-yl)ethyl]amine hydrochloride is C11H14N4.
The molecular weight of [2-(3-benzyl-1H-1,2,4-triazol-5-yl)ethyl]amine hydrochloride is 202.12184 g/mol.
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