3-氨基-1,2,4-三唑
TL;DR: 3-氨基-1,2,4-三唑 (CAS 61-82-5) is a chemical compound with molecular formula C2H4N4 and molecular weight 84.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-1,2,4-三唑
1H-1,2,4-triazol-5-amine
Also Known As: Amitrole, 3-amino-1,2,4-triazole, Aminotriazole, 1H-1,2,4-Triazol-5-amine, 4H-1,2,4-triazol-3-amine
| Molecular Formula | C2H4N4 |
|---|---|
| Molecular Weight | 84.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.043594 |
| Heavy Atoms | 6 |
| Complexity | 44.0 |
| Melting Point | 158.9 °C |
| Density | 1.138 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 63.5 °F (NTP, 1992) |
| Vapor Pressure | 4.41e-07 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 61-82-5 |
|---|---|
| SMILES | C1=NNC(=N1)N |
| InChIKey | KLSJWNVTNUYHDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-1,2,4-三唑 (CAS 61-82-5), with molecular formula C2H4N4 and molecular weight 84.04 g/mol. IUPAC: 1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 3-氨基-1,2,4-三唑
Property Insights of 3-氨基-1,2,4-三唑
The XLogP value of -0.4 indicates that 3-氨基-1,2,4-三唑 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基-1,2,4-三唑. Following Lipinski's Rule of Five, 3-氨基-1,2,4-三唑 has 2 hydrogen bond donor(s) and 3 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-氨基-1,2,4-三唑?
The CAS number of 3-氨基-1,2,4-三唑 is 61-82-5.
What is the molecular formula of 3-氨基-1,2,4-三唑?
The molecular formula of 3-氨基-1,2,4-三唑 is C2H4N4.
What is the molecular weight of 3-氨基-1,2,4-三唑?
The molecular weight of 3-氨基-1,2,4-三唑 is 84.04 g/mol.
Where can I buy 3-氨基-1,2,4-三唑?
You can request a quote for 3-氨基-1,2,4-三唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基-1,2,4-三唑?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-1,2,4-三唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.