N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0172 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 300.31 |
| Molecular Formula: | C15 H16 N4 O3 |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)n[nH]2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6589 |
| logD: | 1.6587 |
| logSw: | -1.8611 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.231 |
| InChI Key: | RNAYOJNNWVSAKD-UHFFFAOYSA-N |