1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 878426-96-1) is a chemical compound with molecular formula C10H13N7O3 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylic acid
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid, A2877/0121238, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylic acid, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(pyrrolidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
| Molecular Formula | C10H13N7O3 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | -0.4735 |
| Topological Polar Surface Area | 136.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.108 |
| Heavy Atoms | 20 |
| Complexity | 628.5848 |
Chemical Identifiers
| CAS Number | 878426-96-1 |
|---|---|
| SMILES | C1CCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)O |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 878426-96-1), with molecular formula C10H13N7O3 and molecular weight 279.11 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylic acid.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of -0.4735 indicates that 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 8 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 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid is 878426-96-1.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid is C10H13N7O3.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid is 279.11 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.