5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile
TL;DR: 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile (CAS 1024269-87-1) is a chemical compound with molecular formula C16H11N5O2 and molecular weight 305.09128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1,3-benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile
Also Known As: 4-BENZO[D]1,3-DIOXOLEN-5-YL-1-(2-PYRIDYLMETHYL)-1,2,3-TRIAZOLE-5-CARBONITRILE, 5-(1,3-benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile, 5-(1,3-benzodioxol-5-yl)-3-(2-pyridylmethyl)triazole-4-carbonitrile, 5-benzo[1,3]dioxol-5-yl-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile, 4-(2H-1,3-benzodioxol-5-yl)-1-[(pyridin-2-yl)methyl]-1H-1,2,3-triazole-5-carbonitrile
Technical Specifications
| Molecular Formula | C16H11N5O2 |
| Molecular Weight | 305.09128 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.09128 Da |
| Heavy Atoms | 23 |
| Complexity | 467.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(N(N=N3)CC4=CC=CC=N4)C#N |
| InChIKey | QIEMGOSIICPXNY-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile
Property Insights of 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile?
The CAS number of 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile is 1024269-87-1.
What is the molecular formula of 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile?
The molecular formula of 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile is C16H11N5O2.
What is the molecular weight of 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile?
The molecular weight of 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile is 305.09128 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile?
You can request a quote for 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-(1,3-Benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)triazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.