ethyl [1-(4-amino-4H-1,2,4-triazol-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetate--hydrogen chloride (1/2)
Chemical Structure Depiction of
ethyl [1-(4-amino-4H-1,2,4-triazol-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetate--hydrogen chloride (1/2)
ethyl [1-(4-amino-4H-1,2,4-triazol-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 8018-6041 |
| Compound Name: | ethyl [1-(4-amino-4H-1,2,4-triazol-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetate--hydrogen chloride (1/2) |
| Molecular Weight: | 337.21 |
| Molecular Formula: | C11 H16 N6 O2 |
| Salt: | 2HCl |
| Smiles: | CCOC(Cc1c(C)nn(c1C)c1nncn1N)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3106 |
| logD: | -0.3134 |
| logSw: | 0.1203 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.393 |
| InChI Key: | QWMLIVDMEHHYKC-UHFFFAOYSA-N |