TL;DR: 5-Phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 142954-77-6) is a chemical compound with molecular formula C11H10N4 and molecular weight 198.09055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: CC-PMLSC-PW-03AACA007, 5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine, 5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine, [1,2,4]Triazolo[1,5-a]pyrimidine, 1,7-dihydro-5-phenyl-, 5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
| Molecular Formula | C11H10N4 |
| Molecular Weight | 198.09055 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.09055 Da |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
| SMILES | C1C=C(NC2=NC=NN21)C3=CC=CC=C3 |
| InChIKey | ZZVPFRKRYGRMQY-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine. With a topological polar surface area (TPSA) of 42.7 Ų, 5-Phenyl-1,7-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-1,7-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-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is 142954-77-6.
The molecular formula of 5-Phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is C11H10N4.
The molecular weight of 5-Phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is 198.09055 g/mol.
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