2,5-dimethyl-3,4-dihydro-2H-cyclopenta[e][1,2,4]triazine-6,6,7,7-tetracarbonitrile
Chemical Structure Depiction of
2,5-dimethyl-3,4-dihydro-2H-cyclopenta[e][1,2,4]triazine-6,6,7,7-tetracarbonitrile
2,5-dimethyl-3,4-dihydro-2H-cyclopenta[e][1,2,4]triazine-6,6,7,7-tetracarbonitrile
Compound characteristics
| Compound ID: | 8008-4577 |
| Compound Name: | 2,5-dimethyl-3,4-dihydro-2H-cyclopenta[e][1,2,4]triazine-6,6,7,7-tetracarbonitrile |
| Molecular Weight: | 251.25 |
| Molecular Formula: | C12 H9 N7 |
| Smiles: | CC1=C2C(C(C#N)(C#N)C1(C#N)C#N)=NN(C)CN2 |
| Stereo: | ACHIRAL |
| logP: | 0.3158 |
| logD: | 0.3155 |
| logSw: | -0.4107 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.884 |
| InChI Key: | JVIYOJRAKKTXDR-UHFFFAOYSA-N |