TL;DR: Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-2-phenyl- (CAS 135131-00-9) is a chemical compound with molecular formula C11H10N4O and molecular weight 214.08546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-3a,5-dihydro-3H-pyrazolo[1,5-d][1,2,4]triazin-4-one
Also Known As: 8-Phenyl-4,9-dihydropyrazolo[1,5-d][1,2,4]triazinone, 3,3a-Dihydro-2-phenylpyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 2-phenyl-3a,5-dihydro-3H-pyrazolo[1,5-d][1,2,4]triazin-4-one, 2-phenyl-3H,3aH,4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one, Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-2-phenyl-
| Molecular Formula | C11H10N4O |
| Molecular Weight | 214.08546 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 57.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.08546 Da |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
| SMILES | C1C2C(=O)NN=CN2N=C1C3=CC=CC=C3 |
| InChIKey | RQXGKWUWGBBMOI-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-2-phenyl-. With a topological polar surface area (TPSA) of 57.1 Ų, Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-2-phenyl- 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 Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-2-phenyl- is 135131-00-9.
The molecular formula of Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-2-phenyl- is C11H10N4O.
The molecular weight of Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-2-phenyl- is 214.08546 g/mol.
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