[1-(4-amino-4H-1,2,4-triazol-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
Chemical Structure Depiction of
[1-(4-amino-4H-1,2,4-triazol-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
[1-(4-amino-4H-1,2,4-triazol-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
Compound characteristics
| Compound ID: | 8019-3463 |
| Compound Name: | [1-(4-amino-4H-1,2,4-triazol-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid |
| Molecular Weight: | 236.23 |
| Molecular Formula: | C9 H12 N6 O2 |
| Smiles: | Cc1c(CC(O)=O)c(C)n(c2nncn2N)n1 |
| Stereo: | ACHIRAL |
| logP: | -1.0932 |
| logD: | -4.7119 |
| logSw: | -0.0461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.618 |
| InChI Key: | LFRXUIUJTBZKIJ-UHFFFAOYSA-N |