2-amino-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
2-amino-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
2-amino-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | Y508-9705 |
| Compound Name: | 2-amino-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 332.41 |
| Molecular Formula: | C19 H20 N6 |
| Smiles: | Cc1c(C2C3CCCC=C3C(C#N)=C(C2(C#N)C#N)N)c(C)n(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4989 |
| logD: | 1.4988 |
| logSw: | -1.9356 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.195 |
| InChI Key: | PTYGVKYRDGUFHC-UHFFFAOYSA-N |