5-Isopropenyltetrazole
TL;DR: 5-Isopropenyltetrazole (CAS 120704-41-8) is a chemical compound with molecular formula C4H6N4 and molecular weight 110.05925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-prop-1-en-2-yl-2H-tetrazole
Also Known As: 5-isopropenyltetrazole, Poly-5-isopropenyltetrazole, 5-Isopropenyl-1H-tetrazole, 5-(1-Methylethenyl)-2H-tetrazole, 5-prop-1-en-2-yl-2H-tetrazole
Technical Specifications
| Molecular Formula | C4H6N4 |
| Molecular Weight | 110.05925 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.05925 Da |
| Heavy Atoms | 8 |
| Complexity | 100.0 |
| SMILES | CC(=C)C1=NNN=N1 |
| InChIKey | ILVGHVLMYSEBSH-UHFFFAOYSA-N |
Chemical Property Profile of 5-Isopropenyltetrazole
Property Insights of 5-Isopropenyltetrazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isopropenyltetrazole. With a topological polar surface area (TPSA) of 54.5 Ų, 5-Isopropenyltetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isopropenyltetrazole has 1 hydrogen bond donor(s) and 3 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-Isopropenyltetrazole?
The CAS number of 5-Isopropenyltetrazole is 120704-41-8.
What is the molecular formula of 5-Isopropenyltetrazole?
The molecular formula of 5-Isopropenyltetrazole is C4H6N4.
What is the molecular weight of 5-Isopropenyltetrazole?
The molecular weight of 5-Isopropenyltetrazole is 110.05925 g/mol.
Where can I buy 5-Isopropenyltetrazole?
You can request a quote for 5-Isopropenyltetrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Isopropenyltetrazole?
Yes, CoreyChem provides custom synthesis services for 5-Isopropenyltetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.