TL;DR: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl- (CAS 129521-49-9) is a chemical compound with molecular formula C10H11N3O2 and molecular weight 205.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazol-5-one
Also Known As: 3-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazol-5-one, 3-(4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl-, 2,4-Dihydro-5-(4-methoxyphenyl)-4-methyl-3H-1,2,4-triazol-3-one, PHENYLAC-D-TYR(ET)-PHE-GLN-ASN-LYS-PRO-ARG-NH2
| Molecular Formula | C10H11N3O2 |
| Molecular Weight | 205.08513 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.08513 Da |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
| SMILES | CN1C(=NNC1=O)C2=CC=C(C=C2)OC |
| InChIKey | DXQFDIPJCAMXTM-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl-. With a topological polar surface area (TPSA) of 53.9 Ų, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl- 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 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl- is 129521-49-9.
The molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl- is C10H11N3O2.
The molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl- is 205.08513 g/mol.
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