TL;DR: Acetic acid, phenyl-, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide (CAS 70551-96-1) is a chemical compound with molecular formula C18H17N5O and molecular weight 319.1433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-2-phenylacetohydrazide
Also Known As: 3-(Phenylacetylhydrazino)-5-(p-tolyl)-1,2,4-triazine, ACETIC ACID, PHENYL-, 2-(5-(p-TOLYL)-3-as-TRIAZINYL)HYDRAZIDE, Phenylacetic acid, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide, N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-2-phenylacetohydrazide, 2-Phenyl-N -[5-(p-tolyl)-1,2,4-triazin-3-yl]acetohydrazide
| Molecular Formula | C18H17N5O |
| Molecular Weight | 319.1433 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1433 Da |
| Heavy Atoms | 24 |
| Complexity | 391.0 |
| SMILES | CC1=CC=C(C=C1)C2=CN=NC(=N2)NNC(=O)CC3=CC=CC=C3 |
| InChIKey | GUMGRLRXRKAHMJ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, phenyl-, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, phenyl-, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide. Following Lipinski's Rule of Five, Acetic acid, phenyl-, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, phenyl-, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide is 70551-96-1.
The molecular formula of Acetic acid, phenyl-, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide is C18H17N5O.
The molecular weight of Acetic acid, phenyl-, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide is 319.1433 g/mol.
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