4,5-dicyano-1H-(1,2,3)triazole
TL;DR: 4,5-dicyano-1H-(1,2,3)triazole (CAS 53817-16-6) is a chemical compound with molecular formula C4HN5 and molecular weight 119.02319 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2H-triazole-4,5-dicarbonitrile
Also Known As: 1H-1,2,3-Triazole-4,5-dicarbonitrile, dicyanotriazole, 2H-triazole-4,5-dicarbonitrile, 4,5-dicyanotriazole, HDCTA
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4HN5 |
| Molecular Weight | 119.02319 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 119.02319 Da |
| Heavy Atoms | 9 |
| Complexity | 169.0 |
| SMILES | C(#N)C1=NNN=C1C#N |
| InChIKey | IVANFNGOSJTZFM-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-dicyano-1H-(1,2,3)triazole
Property Insights of 4,5-dicyano-1H-(1,2,3)triazole
The XLogP value of -0.3 indicates that 4,5-dicyano-1H-(1,2,3)triazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dicyano-1H-(1,2,3)triazole. Following Lipinski's Rule of Five, 4,5-dicyano-1H-(1,2,3)triazole has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-dicyano-1H-(1,2,3)triazole?
The CAS number of 4,5-dicyano-1H-(1,2,3)triazole is 53817-16-6.
What is the molecular formula of 4,5-dicyano-1H-(1,2,3)triazole?
The molecular formula of 4,5-dicyano-1H-(1,2,3)triazole is C4HN5.
What is the molecular weight of 4,5-dicyano-1H-(1,2,3)triazole?
The molecular weight of 4,5-dicyano-1H-(1,2,3)triazole is 119.02319 g/mol.
Where can I buy 4,5-dicyano-1H-(1,2,3)triazole?
You can request a quote for 4,5-dicyano-1H-(1,2,3)triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-dicyano-1H-(1,2,3)triazole?
Yes, CoreyChem provides custom synthesis services for 4,5-dicyano-1H-(1,2,3)triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.