5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine
TL;DR: 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine (CAS 5253-82-7) is a chemical compound with molecular formula C3H3F3N4 and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
Also Known As: 5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine, 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine, 3-(trifluoromethyl)-1H-1,2,4-triazol-5-amine, ZERO/001249, 1H-1,2,4-Triazol-5-amine, 3-(trifluoromethyl)-
| Molecular Formula | C3H3F3N4 |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.03098 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 5253-82-7 |
|---|---|
| SMILES | C1(=NC(=NN1)N)C(F)(F)F |
| InChIKey | NQNDCVURMZJFNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine (CAS 5253-82-7), with molecular formula C3H3F3N4 and molecular weight 152.03 g/mol. IUPAC: 5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine
Property Insights of 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine has 2 hydrogen bond donor(s) and 6 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 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine?
The CAS number of 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine is 5253-82-7.
What is the molecular formula of 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine?
The molecular formula of 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine is C3H3F3N4.
What is the molecular weight of 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine?
The molecular weight of 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine is 152.03 g/mol.
Where can I buy 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine?
You can request a quote for 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.