TL;DR: Glycine, N-((6-methyl-4-phenylpyrazolo(3,4-d)-1,2,3-triazol-3(4H)-yl)carbonyl)-, ethyl ester (CAS 146495-61-6) is a chemical compound with molecular formula C15H16N6O3 and molecular weight 328.1284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(6-methyl-4-phenylpyrazolo[4,5-d]triazole-3-carbonyl)amino]acetate
Also Known As: Glycine, N-((6-methyl-4-phenylpyrazolo(3,4-d)-1,2,3-triazol-3(4H)-yl)carbonyl)-, ethyl ester, Pyrazolo[3,4-d]-1,2,3-triazole, glycine deriv., ethyl 2-[(6-methyl-4-phenyl-pyrazolo[3,4-d]triazole-3-carbonyl)amino]acetate, ethyl 2-[(6-methyl-4-phenylpyrazolo[3,4-d]triazole-3-carbonyl)amino]acetate, Ethyl N-(6-methyl-4-phenylpyrazolo[3,4-d][1,2,3]triazole-3(4H)-carbonyl)glycinate
| Molecular Formula | C15H16N6O3 |
| Molecular Weight | 328.1284 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.1284 Da |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
| SMILES | CCOC(=O)CNC(=O)N1C2=C(C(=NN2C3=CC=CC=C3)C)N=N1 |
| InChIKey | IQUBUTALJYRNRY-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycine, N-((6-methyl-4-phenylpyrazolo(3,4-d)-1,2,3-triazol-3(4H)-yl)carbonyl)-, ethyl ester. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycine, N-((6-methyl-4-phenylpyrazolo(3,4-d)-1,2,3-triazol-3(4H)-yl)carbonyl)-, ethyl ester. Following Lipinski's Rule of Five, Glycine, N-((6-methyl-4-phenylpyrazolo(3,4-d)-1,2,3-triazol-3(4H)-yl)carbonyl)-, ethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Glycine, N-((6-methyl-4-phenylpyrazolo(3,4-d)-1,2,3-triazol-3(4H)-yl)carbonyl)-, ethyl ester is 146495-61-6.
The molecular formula of Glycine, N-((6-methyl-4-phenylpyrazolo(3,4-d)-1,2,3-triazol-3(4H)-yl)carbonyl)-, ethyl ester is C15H16N6O3.
The molecular weight of Glycine, N-((6-methyl-4-phenylpyrazolo(3,4-d)-1,2,3-triazol-3(4H)-yl)carbonyl)-, ethyl ester is 328.1284 g/mol.
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