N-methyl-3-(2-nitrophenyl)-N-(propan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-amine
Chemical Structure Depiction of
N-methyl-3-(2-nitrophenyl)-N-(propan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-amine
N-methyl-3-(2-nitrophenyl)-N-(propan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-amine
Compound characteristics
| Compound ID: | V021-4545 |
| Compound Name: | N-methyl-3-(2-nitrophenyl)-N-(propan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-amine |
| Molecular Weight: | 362.39 |
| Molecular Formula: | C19 H18 N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)N(C)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.4952 |
| logD: | 3.4551 |
| logSw: | -3.9819 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.398 |
| InChI Key: | XIBKRVMOZOSCLG-UHFFFAOYSA-N |