1-((1H-Benzotriazol-L-yl)methyl)pyridinium
TL;DR: 1-((1H-Benzotriazol-L-yl)methyl)pyridinium (CAS 125713-96-4) is a chemical compound with molecular formula C12H11N4+ and molecular weight 211.09837 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(pyridin-1-ium-1-ylmethyl)benzotriazole
Also Known As: 1-((1H-Benzotriazol-L-yl)methyl)pyridinium, 1-(pyridin-1-ium-1-ylmethyl)benzotriazole, 1-(2H-pyridin-1-ylmethyl)benzotriazole, 1-(1H-Benzotriazole-1-ylmethyl)pyridinium, 1-(PYRIDIN-1-YLMETHYL)BENZOTRIAZOLE
Technical Specifications
| Molecular Formula | C12H11N4+ |
| Molecular Weight | 211.09837 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 34.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.09837 Da |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
| SMILES | C1=CC=[N+](C=C1)CN2C3=CC=CC=C3N=N2 |
| InChIKey | NEMINUYEACMXFA-UHFFFAOYSA-N |
Chemical Property Profile of 1-((1H-Benzotriazol-L-yl)methyl)pyridinium
Property Insights of 1-((1H-Benzotriazol-L-yl)methyl)pyridinium
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((1H-Benzotriazol-L-yl)methyl)pyridinium. With a topological polar surface area (TPSA) of 34.6 Ų, 1-((1H-Benzotriazol-L-yl)methyl)pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((1H-Benzotriazol-L-yl)methyl)pyridinium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-((1H-Benzotriazol-L-yl)methyl)pyridinium?
The CAS number of 1-((1H-Benzotriazol-L-yl)methyl)pyridinium is 125713-96-4.
What is the molecular formula of 1-((1H-Benzotriazol-L-yl)methyl)pyridinium?
The molecular formula of 1-((1H-Benzotriazol-L-yl)methyl)pyridinium is C12H11N4+.
What is the molecular weight of 1-((1H-Benzotriazol-L-yl)methyl)pyridinium?
The molecular weight of 1-((1H-Benzotriazol-L-yl)methyl)pyridinium is 211.09837 g/mol.
Where can I buy 1-((1H-Benzotriazol-L-yl)methyl)pyridinium?
You can request a quote for 1-((1H-Benzotriazol-L-yl)methyl)pyridinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((1H-Benzotriazol-L-yl)methyl)pyridinium?
Yes, CoreyChem provides custom synthesis services for 1-((1H-Benzotriazol-L-yl)methyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.