TL;DR: Triazolo(4,5-c)pyridine, 7-nitro-1-(2-(3-piperidyl)ethyl)- (CAS 63978-71-2) is a chemical compound with molecular formula C12H16N6O2 and molecular weight 276.13348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-nitro-1-(2-piperidin-3-ylethyl)triazolo[4,5-c]pyridine
Also Known As: 7-Nitro-1-(2-(3-piperidyl)ethyl)triazolo(4,5-c)pyridine, Triazolo(4,5-c)pyridine, 7-nitro-1-(2-(3-piperidyl)ethyl)-, 1h-1,2,3-triazolo[4,5-c]pyridine, 7-nitro-1-[2-(3-piperidinyl)ethyl]-, 7-nitro-1-(2-piperidin-3-ylethyl)triazolo[4,5-c]pyridine, 3-(2-{7-nitro-1H-[1,2,3]triazolo[4,5-c]pyridin-1-yl}ethyl)piperidine
| Molecular Formula | C12H16N6O2 |
| Molecular Weight | 276.13348 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.13348 Da |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
| SMILES | C1CC(CNC1)CCN2C3=C(C=NC=C3N=N2)[N+](=O)[O-] |
| InChIKey | OEZJEQKTIXTQRW-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triazolo(4,5-c)pyridine, 7-nitro-1-(2-(3-piperidyl)ethyl)-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triazolo(4,5-c)pyridine, 7-nitro-1-(2-(3-piperidyl)ethyl)-. Following Lipinski's Rule of Five, Triazolo(4,5-c)pyridine, 7-nitro-1-(2-(3-piperidyl)ethyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Triazolo(4,5-c)pyridine, 7-nitro-1-(2-(3-piperidyl)ethyl)- is 63978-71-2.
The molecular formula of Triazolo(4,5-c)pyridine, 7-nitro-1-(2-(3-piperidyl)ethyl)- is C12H16N6O2.
The molecular weight of Triazolo(4,5-c)pyridine, 7-nitro-1-(2-(3-piperidyl)ethyl)- is 276.13348 g/mol.
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