3-iodo-1H-1,2,4-triazole
TL;DR: 3-iodo-1H-1,2,4-triazole (CAS 74110-68-2) is a chemical compound with molecular formula C2H2IN3 and molecular weight 194.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-1H-1,2,4-triazole
Also Known As: 3-iodo-1H-1,2,4-triazole, 5-iodo-1H-1,2,4-triazole, 3-iodo-4H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-iodo-, 3-Iodo-1h-[1,2,4]triazole
| Molecular Formula | C2H2IN3 |
|---|---|
| Molecular Weight | 194.93 g/mol |
| LogP | 0.4093 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.92934 |
| Heavy Atoms | 6 |
| Complexity | 112.353615 |
Chemical Identifiers
| CAS Number | 74110-68-2 |
|---|---|
| SMILES | C1=NNC(=N1)I |
Product Overview
3-iodo-1H-1,2,4-triazole (CAS 74110-68-2), with molecular formula C2H2IN3 and molecular weight 194.93 g/mol. IUPAC: 5-iodo-1H-1,2,4-triazole.
Chemical Property Profile of 3-iodo-1H-1,2,4-triazole
Property Insights of 3-iodo-1H-1,2,4-triazole
The XLogP value of 0.4093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-iodo-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 3-iodo-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-iodo-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 2 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 3-iodo-1H-1,2,4-triazole?
The CAS number of 3-iodo-1H-1,2,4-triazole is 74110-68-2.
What is the molecular formula of 3-iodo-1H-1,2,4-triazole?
The molecular formula of 3-iodo-1H-1,2,4-triazole is C2H2IN3.
What is the molecular weight of 3-iodo-1H-1,2,4-triazole?
The molecular weight of 3-iodo-1H-1,2,4-triazole is 194.93 g/mol.
Where can I buy 3-iodo-1H-1,2,4-triazole?
You can request a quote for 3-iodo-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-iodo-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-iodo-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.