TL;DR: 4-Amino-1,2,4-triazole hydrochloride (CAS 10495-63-3) is a chemical compound with molecular formula C2H5ClN4 and molecular weight 120.02027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4-triazol-4-amine;hydrochloride
Also Known As: 4H-1,2,4-triazol-4-amine hydrochloride, 1,2,4-triazol-4-amine;hydrochloride, 4-Amino-1,2,4-triazolehydrochloride, 1,2,4-triazol-4-amine Hydrochloride, 1,2,4-triazole-4-ylamine,chloride
| Molecular Formula | C2H5ClN4 |
| Molecular Weight | 120.02027 g/mol |
| XLogP | -0.5863 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.02027 Da |
| Heavy Atoms | 7 |
| Complexity | 38.0 |
| SMILES | C1=NN=CN1N.Cl |
| InChIKey | BSMKWRYLGIMNSN-UHFFFAOYSA-N |
The XLogP value of -0.5863 indicates that 4-Amino-1,2,4-triazole hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.7 Ų, 4-Amino-1,2,4-triazole hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-1,2,4-triazole 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 4-Amino-1,2,4-triazole hydrochloride is 10495-63-3.
The molecular formula of 4-Amino-1,2,4-triazole hydrochloride is C2H5ClN4.
The molecular weight of 4-Amino-1,2,4-triazole hydrochloride is 120.02027 g/mol.
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