TL;DR: N-(3-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CAS 1092782-42-7) is a chemical compound with molecular formula C13H13N5O2 and molecular weight 271.10693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
Also Known As: N-(3-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide, 7-Oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid m-tolylamide, 7-oxo-N-(m-tolyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide, N-(3-methylphenyl)-7-oxo-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide, N-(3-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
| Molecular Formula | C13H13N5O2 |
| Molecular Weight | 271.10693 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.10693 Da |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
| SMILES | CC1=CC(=CC=C1)NC(=O)C2CC(=O)N3C(=NC=N3)N2 |
| InChIKey | SNDPILCGZQGUGK-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide. Following Lipinski's Rule of Five, N-(3-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has 2 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 N-(3-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is 1092782-42-7.
The molecular formula of N-(3-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is C13H13N5O2.
The molecular weight of N-(3-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is 271.10693 g/mol.
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