4-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile
Chemical Structure Depiction of
4-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile
4-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile
Compound characteristics
| Compound ID: | 8017-0361 |
| Compound Name: | 4-(2-amino-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile |
| Molecular Weight: | 305.34 |
| Molecular Formula: | C16 H15 N7 |
| Smiles: | Cc1c(C2N=C(N)Nc3nc4ccccc4n23)c(C)[nH]c1C#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2085 |
| logD: | 0.2087 |
| logSw: | -2.2356 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 84.831 |
| InChI Key: | FACJEKCVFJVNJF-CQSZACIVSA-N |