N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrimidine-4-carboxamide
N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | S637-2513 |
| Compound Name: | N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyrimidine-4-carboxamide |
| Molecular Weight: | 272.31 |
| Molecular Formula: | C13 H16 N6 O |
| Smiles: | Cc1nnc2CCC(CCn12)NC(c1ccncn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.6088 |
| logD: | -0.6113 |
| logSw: | -1.2243 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.448 |
| InChI Key: | FNILVNZMNJAHES-JTQLQIEISA-N |