7-(2-hydroxy-6-methylpyridine-3-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(2-hydroxy-6-methylpyridine-3-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2-hydroxy-6-methylpyridine-3-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-5579 |
| Compound Name: | 7-(2-hydroxy-6-methylpyridine-3-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C14 H17 N5 O3 |
| Smiles: | Cc1ccc(C(N2CCC3=NN(C)C(N3CC2)=O)=O)c(n1)O |
| Stereo: | ACHIRAL |
| logP: | 0.0806 |
| logD: | 0.0708 |
| logSw: | -1.8974 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.305 |
| InChI Key: | YODBUIKREHKGHG-UHFFFAOYSA-N |