TL;DR: Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4-hydroxy-4a-(1H-indol-3-yl)- (CAS 110621-93-7) is a chemical compound with molecular formula C15H14N6O4 and molecular weight 342.10767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[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-4-hydroxy-4a-(1H-indol-3-yl)-, 3,4-Dihydroxy-4a-(1H-indol-3-yl)-6,8-dimethyl-4,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione, 4-hydroxy-4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione, BRN 5652024
| Molecular Formula | C15H14N6O4 |
| Molecular Weight | 342.10767 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.10767 Da |
| Heavy Atoms | 25 |
| Complexity | 681.0 |
| SMILES | CN1C2=NNC(=O)N(C2(C(=O)N(C1=O)C)C3=CNC4=CC=CC=C43)O |
| InChIKey | UBAMHOXIGSPNQM-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4-hydroxy-4a-(1H-indol-3-yl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 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-4-hydroxy-4a-(1H-indol-3-yl)-. 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-4-hydroxy-4a-(1H-indol-3-yl)- has 3 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 Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4-hydroxy-4a-(1H-indol-3-yl)- is 110621-93-7.
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-4-hydroxy-4a-(1H-indol-3-yl)- is C15H14N6O4.
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-4-hydroxy-4a-(1H-indol-3-yl)- is 342.10767 g/mol.
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