1-[5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
1-[5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | K832-3686 |
| Compound Name: | 1-[5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]ethan-1-one |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C13 H12 N6 O3 |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(N1)nnn2)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3507 |
| logD: | 0.9613 |
| logSw: | -2.2901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.675 |
| InChI Key: | SMDRTJMQOWDRMV-LBPRGKRZSA-N |