TL;DR: Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(4-hydrazinophenyl)- (CAS 113458-64-3) is a chemical compound with molecular formula C13H15N7O3 and molecular weight 317.12363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4a-(4-hydrazinylphenyl)-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Also Known As: Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(4-hydrazinophenyl)-, 4a-(4-Hydrazinylphenyl)-3-hydroxy-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione, 4a-(4-hydrazinylphenyl)-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione, BRN 5635294
| Molecular Formula | C13H15N7O3 |
| Molecular Weight | 317.12363 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.12363 Da |
| Heavy Atoms | 23 |
| Complexity | 584.0 |
| SMILES | CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CC=C(C=C3)NN |
| InChIKey | HHHPITTUIVCSAG-UHFFFAOYSA-N |
The XLogP value of -0.8 indicates that Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(4-hydrazinophenyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(4-hydrazinophenyl)-. Following Lipinski's Rule of Five, Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(4-hydrazinophenyl)- has 4 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 Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(4-hydrazinophenyl)- is 113458-64-3.
The molecular formula of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(4-hydrazinophenyl)- is C13H15N7O3.
The molecular weight of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(4-hydrazinophenyl)- is 317.12363 g/mol.
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