3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine
TL;DR: 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine (CAS 25979-02-6) is a chemical compound with molecular formula C5H3F7N4 and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-1,2,4-triazol-3-amine
Also Known As: 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine, BAS 01171815, 3-(perfluoropropyl)-1H-1,2,4-triazol-5-amine, 1,2,4-Triazole, 3-heptafluoropropyl-5-amino-, 5-Heptafluoropropyl-2H-[1,2,4]triazol-3-ylamine
| Molecular Formula | C5H3F7N4 |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.0246 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 25979-02-6 |
|---|---|
| SMILES | C1(=NC(=NN1)N)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | WRONHTPBJGQDGJ-UHFFFAOYSA-N |
Product Overview
3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine (CAS 25979-02-6), with molecular formula C5H3F7N4 and molecular weight 252.02 g/mol. IUPAC: 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine
Property Insights of 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine has 2 hydrogen bond donor(s) and 10 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-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine?
The CAS number of 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine is 25979-02-6.
What is the molecular formula of 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine is C5H3F7N4.
What is the molecular weight of 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine is 252.02 g/mol.
Where can I buy 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.