TL;DR: 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-3-(propylamino)- (CAS 120116-64-5) is a chemical compound with molecular formula C18H17N5 and molecular weight 303.1484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-phenyl-N-propyl-[1,2,4]triazolo[3,4-a]phthalazin-3-amine
Also Known As: 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-3-(propylamino)-, 6-Phenyl-3-(propylamino)-1,2,4-triazolo(3,4-a)phthalazine, 1,2,4-Triazolo(3,4-a)phthalazin-3-amine, 6-phenyl-N-propyl-, 1,2,4-Triazolo[3,4-a]phthalazin-3-amine,6-phenyl-N-propyl-, 6-phenyl-N-propyl-[1,2,4]triazolo[3,4-a]phthalazin-3-amine
| Molecular Formula | C18H17N5 |
| Molecular Weight | 303.1484 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.1484 Da |
| Heavy Atoms | 23 |
| Complexity | 384.0 |
| SMILES | CCCNC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC=CC=C4 |
| InChIKey | AKILEWSHHCTPAL-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-3-(propylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-3-(propylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-3-(propylamino)- has 1 hydrogen bond donor(s) and 4 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)phthalazine, 6-phenyl-3-(propylamino)- is 120116-64-5.
The molecular formula of 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-3-(propylamino)- is C18H17N5.
The molecular weight of 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-3-(propylamino)- is 303.1484 g/mol.
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