(5-methyl-6-nitro-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
Chemical Structure Depiction of
(5-methyl-6-nitro-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
(5-methyl-6-nitro-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
Compound characteristics
| Compound ID: | 8016-5006 |
| Compound Name: | (5-methyl-6-nitro-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid |
| Molecular Weight: | 253.17 |
| Molecular Formula: | C8 H7 N5 O5 |
| Smiles: | CC1=C(C(n2c(N1)nc(CC(O)=O)n2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.8106 |
| logD: | -7.2318 |
| logSw: | -1.0305 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.197 |
| InChI Key: | ZBJRYOMMZULGFZ-UHFFFAOYSA-N |