TL;DR: 2-[C-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]indene-1,3-dione (CAS 1025668-21-6) is a chemical compound with molecular formula C19H14N4O2 and molecular weight 330.11166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[C-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]indene-1,3-dione
Also Known As: 2-[C-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]indene-1,3-dione, 2-(2-(3H-2,3,5-triazolyl)-2-aza-1-(4-methylphenyl)vinyl)indane-1,3-dione, 2-[C-(p-tolyl)-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]indane-1,3-dione, 2-[C-(4-methylphenyl)-N-(2H-1,2,4-triazol-3-yl)carbonimidoyl]indene-1,3-dione
| Molecular Formula | C19H14N4O2 |
| Molecular Weight | 330.11166 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.11166 Da |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
| SMILES | CC1=CC=C(C=C1)C(=NC2=NC=NN2)C3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | FVHOHZVQBWBGOQ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-[C-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]indene-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[C-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]indene-1,3-dione. Following Lipinski's Rule of Five, 2-[C-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]indene-1,3-dione has 1 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 2-[C-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]indene-1,3-dione is 1025668-21-6.
The molecular formula of 2-[C-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]indene-1,3-dione is C19H14N4O2.
The molecular weight of 2-[C-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]indene-1,3-dione is 330.11166 g/mol.
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