TL;DR: 4H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)- (CAS 131924-47-5) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-(1-methyltriazol-4-yl)chromen-4-one
Also Known As: 6-methyl-2-(1-methyltriazol-4-yl)chromen-4-one, 4H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-, 4H-1-Benzopyran-4-one,6-methyl-2- -, 6-Methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-4H-1-benzopyran-4-one, 6-Methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-4H-chromen-4-one
| Molecular Formula | C13H11N3O2 |
| Molecular Weight | 241.08513 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.08513 Da |
| Heavy Atoms | 18 |
| Complexity | 382.0 |
| SMILES | CC1=CC2=C(C=C1)OC(=CC2=O)C3=CN(N=N3)C |
| InChIKey | SYIMKIJSJZYNES-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-. With a topological polar surface area (TPSA) of 57.0 Ų, 4H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)- has 0 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 4H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)- is 131924-47-5.
The molecular formula of 4H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)- is C13H11N3O2.
The molecular weight of 4H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)- is 241.08513 g/mol.
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