TL;DR: 4-[(3-Methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-one (CAS 1023435-04-2) is a chemical compound with molecular formula C17H14N4O and molecular weight 290.11676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-one
Also Known As: 4-[(3-methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-one, 4-(3-methylbenzyl)[1,2,3]triazolo[1,5-a]quinazolin-5(4H)-one, 4-[(3-methylphenyl)methyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-5-one
| Molecular Formula | C17H14N4O |
| Molecular Weight | 290.11676 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 51.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.11676 Da |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
| SMILES | CC1=CC(=CC=C1)CN2C3=CN=NN3C4=CC=CC=C4C2=O |
| InChIKey | YWEUBFFBYCREBD-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-one. With a topological polar surface area (TPSA) of 51.0 Ų, 4-[(3-Methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-Methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-one has 0 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-[(3-Methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-one is 1023435-04-2.
The molecular formula of 4-[(3-Methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-one is C17H14N4O.
The molecular weight of 4-[(3-Methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-one is 290.11676 g/mol.
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