5-cyclopropyl-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-3-carboxamide
Chemical Structure Depiction of
5-cyclopropyl-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-3-carboxamide
5-cyclopropyl-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-3-carboxamide
Compound characteristics
| Compound ID: | S638-4575 |
| Compound Name: | 5-cyclopropyl-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-3-carboxamide |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C15 H20 N6 O2 |
| Smiles: | CN1C(N2CCC(CCC2=N1)NC(c1cc(C2CC2)[nH]n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2885 |
| logD: | 1.2884 |
| logSw: | -1.8491 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.426 |
| InChI Key: | IYFXQTZJSFLSRG-SNVBAGLBSA-N |