![N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide structure](/static/products/7797/77976-42-2.webp)
N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide
TL;DR: N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide (CAS 77976-42-2) is a chemical compound with molecular formula C12H14N6O2 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide
Also Known As: 1H-1,3-Triazole, acetamide deriv., N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide, 1H-1,2,3-Triazole, acetamide deriv., Acetamide,2,3-triazol-4-yl]methyl]amino)-2-oxo-, N~1~-[(5-Amino-1-benzyl-1H-1,2,3-triazol-4-yl)methyl]ethanediamide
| Molecular Formula | C12H14N6O2 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.11783 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 77976-42-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(N=N2)CNC(=O)C(=O)N)N |
| InChIKey | UAJLHQQQVYPAQA-UHFFFAOYSA-N |
Product Overview
N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide (CAS 77976-42-2), with molecular formula C12H14N6O2 and molecular weight 274.12 g/mol. IUPAC: N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide.
Chemical Property Profile of N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide
Property Insights of N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide
The XLogP value of -0.1 indicates that N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide. Following Lipinski's Rule of Five, N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide has 3 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 N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide?
The CAS number of N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide is 77976-42-2.
What is the molecular formula of N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide?
The molecular formula of N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide is C12H14N6O2.
What is the molecular weight of N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide?
The molecular weight of N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide is 274.12 g/mol.
Where can I buy N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide?
You can request a quote for N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide?
Yes, KEHONG BIO provides custom synthesis services for N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.