1H-1,2,4-Triazole
TL;DR: 1H-1,2,4-Triazole (CAS 288-88-0) is a chemical compound with molecular formula C2H3N3 and molecular weight 69.0327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1,2,4-TRIAZOLE, 4H-1,2,4-triazole, Pyrrodiazole, s-Triazole
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H3N3 |
| Molecular Weight | 69.0327 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 69.0327 Da |
| Heavy Atoms | 5 |
| Complexity | 28.0 |
| Melting Point | 120-121 °C |
| Boiling Point | 260 °C (decomposes) |
| Density | 640 kg/m³ |
| Flash Point | 170 °C closed cup |
| Vapor Pressure | 0.6 [mmHg] |
| Solubility | Soluble in water, ethanol |
| SMILES | C1=NC=NN1 |
| InChIKey | NSPMIYGKQJPBQR-UHFFFAOYSA-N |
Product Description
Applications: 1H-1,2,4-Triazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1H-1,2,4-Triazole is a heterocyclic building block identified by CAS number 288-88-0 and the molecular formula C2H3N3 and a molecular weight of 69.03 g/mol. Physically, the compound has a density of 640 kg/m³ g/cm³, a solubility: Soluble in water, ethanol. Synonyms include 1H-1,2,4-Triazole and 1,2,4-TRIAZOLE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1H-1,2,4-Triazole
Property Insights of 1H-1,2,4-Triazole
The XLogP value of -0.6 indicates that 1H-1,2,4-Triazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-1,2,4-Triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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
What is the CAS number of 1H-1,2,4-Triazole?
The CAS number of 1H-1,2,4-Triazole is 288-88-0.
What is the molecular formula of 1H-1,2,4-Triazole?
The molecular formula of 1H-1,2,4-Triazole is C2H3N3.
What is the molecular weight of 1H-1,2,4-Triazole?
The molecular weight of 1H-1,2,4-Triazole is 69.0327 g/mol.
What are the applications of 1H-1,2,4-Triazole?
1H-1,2,4-Triazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1H-1,2,4-Triazole?
You can request a quote for 1H-1,2,4-Triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,4-Triazole?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,4-Triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.