TL;DR: 3-methyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one (CAS 102353-65-1) is a chemical compound with molecular formula C10H8N4O and molecular weight 200.06981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one
Also Known As: 3-methyl-1,2,4-triazolo[3,4-a]phthalazin-6(5H)-one, 3-methyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one, 3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6(5h)-one
| Molecular Formula | C10H8N4O |
| Molecular Weight | 200.06981 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.06981 Da |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
| SMILES | CC1=NN=C2N1NC(=O)C3=CC=CC=C32 |
| InChIKey | GTGVPBYAENFIOE-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one. With a topological polar surface area (TPSA) of 59.8 Ų, 3-methyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one 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 3-methyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one is 102353-65-1.
The molecular formula of 3-methyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one is C10H8N4O.
The molecular weight of 3-methyl-5H-[1,2,4]triazolo[3,4-a]phthalazin-6-one is 200.06981 g/mol.
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