5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 25784-56-9) is a chemical compound with molecular formula C10H10N4O2 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-benzyltriazole-4-carboxylic acid
Also Known As: 5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid, ChemDiv2_002271, 5-amino-1-benzyltriazole-4-carboxylic acid, ZERO/001681, 5-amino-1-benzyl-1,2,3-triazole-4-carboxylic acid
| Molecular Formula | C10H10N4O2 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.08037 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 25784-56-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)O)N |
| InChIKey | BKIMAZAMIHCYRZ-UHFFFAOYSA-N |
Product Overview
5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 25784-56-9), with molecular formula C10H10N4O2 and molecular weight 218.08 g/mol. IUPAC: 5-amino-1-benzyltriazole-4-carboxylic acid.
Chemical Property Profile of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 5 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-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid is 25784-56-9.
What is the molecular formula of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid is C10H10N4O2.
What is the molecular weight of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid is 218.08 g/mol.
Where can I buy 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 5-amino-1-benzyl-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 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.