TL;DR: 1,3,5-Triazin-2(1H)-one, 4,6-bis(dimethylamino)-, oxime (CAS 113682-63-6) is a chemical compound with molecular formula C7H14N6O and molecular weight 198.12291 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]hydroxylamine
Also Known As: 1,3,5-Triazin-2(1H)-one, 4,6-bis(dimethylamino)-, oxime, N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]hydroxylamine, 2-hydroxyamino-4,6-bis (dimethylamino)-1,3,5-triazine, 2-hydroxyamino-4,6-bis(dimethylamino)-1,3,5-triazine, N~6~-Hydroxy-N~2~,N~2~,N~4~,N~4~-tetramethyl-1,3,5-triazine-2,4,6-triamine
| Molecular Formula | C7H14N6O |
| Molecular Weight | 198.12291 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.12291 Da |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
| SMILES | CN(C)C1=NC(=NC(=N1)NO)N(C)C |
| InChIKey | PEOBASWOHQQVRL-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazin-2(1H)-one, 4,6-bis(dimethylamino)-, oxime. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazin-2(1H)-one, 4,6-bis(dimethylamino)-, oxime. Following Lipinski's Rule of Five, 1,3,5-Triazin-2(1H)-one, 4,6-bis(dimethylamino)-, oxime has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3,5-Triazin-2(1H)-one, 4,6-bis(dimethylamino)-, oxime is 113682-63-6.
The molecular formula of 1,3,5-Triazin-2(1H)-one, 4,6-bis(dimethylamino)-, oxime is C7H14N6O.
The molecular weight of 1,3,5-Triazin-2(1H)-one, 4,6-bis(dimethylamino)-, oxime is 198.12291 g/mol.
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