TL;DR: Diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate (CAS 115423-04-6) is a chemical compound with molecular formula C11H13N5O4 and molecular weight 279.09674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
Also Known As: diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate, 3,8-DIETHYL 4-AMINOPYRAZOLO[3,2-C][1,2,4]TRIAZINE-3,8-DICARBOXYLATE, 4-amino-3,8-bisethoxycarbonylpyrazolo(5,1-c)(1,2,4)triazine, 4-Amino-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylic acid diethyl ester, 4-amino-3,8-bisethoxycarbonylpyrazolo[5,1-c][1,2,4]triazine
| Molecular Formula | C11H13N5O4 |
| Molecular Weight | 279.09674 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.09674 Da |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
| SMILES | CCOC(=O)C1=C2N=NC(=C(N2N=C1)N)C(=O)OCC |
| InChIKey | ZTANXDMBOGSQQH-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate is 115423-04-6.
The molecular formula of Diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate is C11H13N5O4.
The molecular weight of Diethyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate is 279.09674 g/mol.
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