2-amino-6-methyl-5-(3-nitro-1H-1,2,4-triazol-1-yl)-4-phenyl-4H-pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-methyl-5-(3-nitro-1H-1,2,4-triazol-1-yl)-4-phenyl-4H-pyran-3-carbonitrile
2-amino-6-methyl-5-(3-nitro-1H-1,2,4-triazol-1-yl)-4-phenyl-4H-pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8002-7406 |
| Compound Name: | 2-amino-6-methyl-5-(3-nitro-1H-1,2,4-triazol-1-yl)-4-phenyl-4H-pyran-3-carbonitrile |
| Molecular Weight: | 324.3 |
| Molecular Formula: | C15 H12 N6 O3 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccccc1)n1cnc(n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3273 |
| logD: | 1.3273 |
| logSw: | -1.6404 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.859 |
| InChI Key: | UIWAGWXYQVSMMM-LBPRGKRZSA-N |