5-(3-methoxyanilino)-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile
Chemical Structure Depiction of
5-(3-methoxyanilino)-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile
5-(3-methoxyanilino)-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8019-9641 |
| Compound Name: | 5-(3-methoxyanilino)-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C18 H17 N5 O |
| Smiles: | COc1cccc(c1)NC1=C(C#N)C2CCCCC=2c2nncn12 |
| Stereo: | ACHIRAL |
| logP: | 3.0968 |
| logD: | 3.0949 |
| logSw: | -3.2779 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.348 |
| InChI Key: | PMTJMEOTKKGNIM-UHFFFAOYSA-N |