1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole
TL;DR: 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole (CAS 100098-18-8) is a chemical compound with molecular formula C3H3N7 and molecular weight 137.045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,2,4-triazol-4-yl)tetrazole
Also Known As: 1-(1,2,4-triazol-4-yl)tetrazole, 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole, 1-(4H-1,2,4-triazol-4-yl)-1H-1,2,3,4-tetrazole
Technical Specifications
| Molecular Formula | C3H3N7 |
| Molecular Weight | 137.045 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.045 Da |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
| SMILES | C1=NN=CN1N2C=NN=N2 |
| InChIKey | XIXFOEJIROLZJH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole
Property Insights of 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole
The XLogP value of -0.8 indicates that 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole. Following Lipinski's Rule of Five, 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole has 0 hydrogen bond donor(s) and 5 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-(4H-1,2,4-triazol-4-yl)-1H-tetrazole?
The CAS number of 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole is 100098-18-8.
What is the molecular formula of 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole?
The molecular formula of 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole is C3H3N7.
What is the molecular weight of 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole?
The molecular weight of 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole is 137.045 g/mol.
Where can I buy 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole?
You can request a quote for 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole?
Yes, CoreyChem provides custom synthesis services for 1-(4H-1,2,4-triazol-4-yl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.