TL;DR: 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)- (CAS 113628-72-1) is a chemical compound with molecular formula C23H28N6O2 and molecular weight 420.2274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(dimethylamino)phenyl]-N,N-bis(2-methoxyethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Also Known As: 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)-, N,N-Bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-amine, 3-(4-dimethylaminophenyl)-N,N-bis(2-methoxyethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine, 3-[4-(Dimethylamino)phenyl]-N,N-bis(2-methoxyethyl)[1,2,4]triazolo[3,4-a]phthalazin-6-amine, BRN 6446806
| Molecular Formula | C23H28N6O2 |
| Molecular Weight | 420.2274 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.2274 Da |
| Heavy Atoms | 31 |
| Complexity | 536.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N(CCOC)CCOC |
| InChIKey | YJLOVTRJTQFBEJ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)-. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)-. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)- has 0 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 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)- is 113628-72-1.
The molecular formula of 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)- is C23H28N6O2.
The molecular weight of 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)- is 420.2274 g/mol.
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