TL;DR: (1R)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-amine (CAS 1212096-79-1) is a chemical compound with molecular formula C10H12N4 and molecular weight 188.1062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
Also Known As: ZERO/006140, (1R)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-amine, (1R)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethanamine, (1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine, (1R)-1-4-(1H-1,2,4-triazol-1-yl)phenylethan-1-amine
| Molecular Formula | C10H12N4 |
| Molecular Weight | 188.1062 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.1062 Da |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
| SMILES | C[C@H](C1=CC=C(C=C1)N2C=NC=N2)N |
| InChIKey | LWCNLFHKRQJWOW-MRVPVSSYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-amine. With a topological polar surface area (TPSA) of 56.7 Ų, (1R)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-amine has 1 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 (1R)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-amine is 1212096-79-1.
The molecular formula of (1R)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-amine is C10H12N4.
The molecular weight of (1R)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-amine is 188.1062 g/mol.
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