9-methyl-3-(3-nitrophenyl)-5-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
9-methyl-3-(3-nitrophenyl)-5-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-c]quinazoline
9-methyl-3-(3-nitrophenyl)-5-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V029-0228 |
| Compound Name: | 9-methyl-3-(3-nitrophenyl)-5-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 374.4 |
| Molecular Formula: | C20 H18 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc2c(c1)c1nnc(c3cccc(c3)[N+]([O-])=O)n1c(n2)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6975 |
| logD: | 4.5778 |
| logSw: | -4.615 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.741 |
| InChI Key: | SCRDPSMOLQPFPI-UHFFFAOYSA-N |