7-amino-2-(methylsulfanyl)-5-phenyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
7-amino-2-(methylsulfanyl)-5-phenyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
7-amino-2-(methylsulfanyl)-5-phenyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Compound characteristics
Compound ID: | 8525-0520F |
Compound Name: | 7-amino-2-(methylsulfanyl)-5-phenyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile |
Molecular Weight: | 284.34 |
Molecular Formula: | C13 H12 N6 S |
Smiles: | CSc1nc2NC(C(C#N)=C(N)n2n1)c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 1.7856 |
logD: | 1.7856 |
logSw: | -1.8282 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 74.374 |
InChI Key: | OHGUMVRUHHWZBZ-SNVBAGLBSA-N |