N-[(2H-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
Compound characteristics
| Compound ID: | V009-8568 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine |
| Molecular Weight: | 323.35 |
| Molecular Formula: | C17 H17 N5 O2 |
| Smiles: | C1CCC2C(C1)=C(NCc1ccc3c(c1)OCO3)n1c(N=2)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 2.299 |
| logD: | 2.299 |
| logSw: | -2.5766 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.543 |
| InChI Key: | VLLKVPZLNGXYGN-UHFFFAOYSA-N |