6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-7(6H)-carbothioamide
Chemical Structure Depiction of
6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-7(6H)-carbothioamide
6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-7(6H)-carbothioamide
Compound characteristics
| Compound ID: | Y020-8409 |
| Compound Name: | 6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-7(6H)-carbothioamide |
| Molecular Weight: | 246.25 |
| Molecular Formula: | C9 H6 N6 O S |
| Smiles: | C1=CN(C(C2C=Nc3ncnn3C1=2)=O)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | -0.9243 |
| logD: | -0.9243 |
| logSw: | -1.1704 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.085 |
| InChI Key: | KHAFQOFBXQRXFF-UHFFFAOYSA-N |