![4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium structure](/static/products/116/1163769-99-0.png)
4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium
TL;DR: 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium (CAS 1163769-99-0) is a chemical compound with molecular formula C8H15ClN4O and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,4-triazol-4-ium-1-yl)-3,3-dimethylbutan-2-one chloride
Also Known As: 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium, 1-(4-amino-1,2,4-triazol-4-ium-1-yl)-3,3-dimethylbutan-2-one chloride, 4-amino-1-(3,3-dimethyl-2-oxobutyl)-1H-1,2,4-triazol-4-ium chloride
| Molecular Formula | C8H15ClN4O |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | -3.4964 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.09344 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 1163769-99-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C=[N+](C=N1)N.[Cl-] |
| InChIKey | PLZZZNMGVPFXHN-UHFFFAOYSA-M |
Product Overview
4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium (CAS 1163769-99-0), with molecular formula C8H15ClN4O and molecular weight 218.09 g/mol. IUPAC: 1-(4-amino-1,2,4-triazol-4-ium-1-yl)-3,3-dimethylbutan-2-one chloride.
Chemical Property Profile of 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium
Property Insights of 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium
The XLogP value of -3.4964 indicates that 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium. Following Lipinski's Rule of Five, 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium has 1 hydrogen bond donor(s) and 4 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 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium?
The CAS number of 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium is 1163769-99-0.
What is the molecular formula of 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium?
The molecular formula of 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium is C8H15ClN4O.
What is the molecular weight of 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium?
The molecular weight of 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium is 218.09 g/mol.
Where can I buy 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium?
You can request a quote for 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.