5-cyclopropyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
5-cyclopropyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrazole-3-carboxamide
5-cyclopropyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | S638-4516 |
| Compound Name: | 5-cyclopropyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C14 H18 N6 O2 |
| Smiles: | C1CC2=NNC(N2CCC1NC(c1cc(C2CC2)[nH]n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2625 |
| logD: | 1.256 |
| logSw: | -2.0058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.077 |
| InChI Key: | YXCWTFCBWBNOOL-SECBINFHSA-N |