5-amino-1-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-1-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]-1H-pyrazole-4-carbonitrile
5-amino-1-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y020-8290 |
| Compound Name: | 5-amino-1-[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 429.44 |
| Molecular Formula: | C21 H19 N9 O2 |
| Smiles: | COc1ccc(cc1)Nc1nc(Nc2ccc(cc2)OC)nc(n1)n1c(c(C#N)cn1)N |
| Stereo: | ACHIRAL |
| logP: | 4.4147 |
| logD: | 4.4108 |
| logSw: | -4.5508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 114.585 |
| InChI Key: | MHXZZZOOLKSWFT-UHFFFAOYSA-N |