5-Cyanotetrazole
TL;DR: 5-Cyanotetrazole (CAS 74418-40-9) is a chemical compound with molecular formula C2HN5 and molecular weight 95.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-tetrazole-5-carbonitrile
Also Known As: 5-Cyanotetrazole, 2H-tetrazole-5-carbonitrile, 1H-Tetrazole-5-carbonitrile, 5-cyano-1h-tetrazole, 5-cyano-2h-tetrazole
| Molecular Formula | C2HN5 |
|---|---|
| Molecular Weight | 95.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 95.02319 |
| Heavy Atoms | 7 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 74418-40-9 |
|---|---|
| SMILES | C(#N)C1=NNN=N1 |
| InChIKey | CKDZEXUCUNHQIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Cyanotetrazole (CAS 74418-40-9), with molecular formula C2HN5 and molecular weight 95.02 g/mol. IUPAC: 2H-tetrazole-5-carbonitrile.
Chemical Property Profile of 5-Cyanotetrazole
Property Insights of 5-Cyanotetrazole
The XLogP value of -0.5 indicates that 5-Cyanotetrazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyanotetrazole. Following Lipinski's Rule of Five, 5-Cyanotetrazole 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
Frequently Asked Questions
What is the CAS number of 5-Cyanotetrazole?
The CAS number of 5-Cyanotetrazole is 74418-40-9.
What is the molecular formula of 5-Cyanotetrazole?
The molecular formula of 5-Cyanotetrazole is C2HN5.
What is the molecular weight of 5-Cyanotetrazole?
The molecular weight of 5-Cyanotetrazole is 95.02 g/mol.
Where can I buy 5-Cyanotetrazole?
You can request a quote for 5-Cyanotetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyanotetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyanotetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.