[7-(1-methyl-1H-indazole-3-carbonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
Chemical Structure Depiction of
[7-(1-methyl-1H-indazole-3-carbonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
[7-(1-methyl-1H-indazole-3-carbonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
Compound characteristics
| Compound ID: | S636-2594 |
| Compound Name: | [7-(1-methyl-1H-indazole-3-carbonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile |
| Molecular Weight: | 351.37 |
| Molecular Formula: | C17 H17 N7 O2 |
| Smiles: | Cn1c2ccccc2c(C(N2CCC3=NN(CC#N)C(N3CC2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.1884 |
| logD: | 0.1884 |
| logSw: | -1.5727 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 82.25 |
| InChI Key: | JHPOMNYJIWJINN-UHFFFAOYSA-N |