TL;DR: 5-Phenyl-7-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 118757-36-1) is a chemical compound with molecular formula C18H16N4 and molecular weight 288.13748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: CC-PMLSC-PW-03AACA008, 5-phenyl-7-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine, F1177-0052, 5-Phenyl-7-p-tolyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine, 5-phenyl-7-(4-methylphenyl)-4,7-dihydro-1,2,4-triazolo<1,5-a>pyrimidine
| Molecular Formula | C18H16N4 |
| Molecular Weight | 288.13748 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.13748 Da |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
| SMILES | CC1=CC=C(C=C1)C2C=C(NC3=NC=NN23)C4=CC=CC=C4 |
| InChIKey | OBIQXTUOYQUGFG-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 5-Phenyl-7-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, 5-Phenyl-7-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-7-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine 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 5-Phenyl-7-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is 118757-36-1.
The molecular formula of 5-Phenyl-7-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is C18H16N4.
The molecular weight of 5-Phenyl-7-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is 288.13748 g/mol.
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