3-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
3-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrazole-5-carboxamide
3-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | S638-0556 |
| Compound Name: | 3-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 290.32 |
| Molecular Formula: | C13 H18 N6 O2 |
| Smiles: | Cc1cc(C(NC2CCC3=NN(C)C(N3CC2)=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.411 |
| logD: | 0.4109 |
| logSw: | -1.3836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.981 |
| InChI Key: | ULIIVRKEERPCBI-SECBINFHSA-N |