5-methyl-6-nitro-2-(pyridin-4-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-methyl-6-nitro-2-(pyridin-4-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-methyl-6-nitro-2-(pyridin-4-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | 8015-8384 |
| Compound Name: | 5-methyl-6-nitro-2-(pyridin-4-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 272.22 |
| Molecular Formula: | C11 H8 N6 O3 |
| Smiles: | CC1=C(C(n2c(N1)nc(c1ccncc1)n2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5985 |
| logD: | -3.7544 |
| logSw: | -1.2455 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.979 |
| InChI Key: | VXGYKDWONSRIAN-UHFFFAOYSA-N |