[7-(1-methyl-1H-pyrrole-2-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-pyrrole-2-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-pyrrole-2-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: | S636-2641 |
| Compound Name: | [7-(1-methyl-1H-pyrrole-2-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: | 300.32 |
| Molecular Formula: | C14 H16 N6 O2 |
| Smiles: | Cn1cccc1C(N1CCC2=NN(CC#N)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5059 |
| logD: | 0.5059 |
| logSw: | -1.3689 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 70.131 |
| InChI Key: | FJVMWPJGNFJRHU-UHFFFAOYSA-N |