N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide
TL;DR: N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide (CAS 77976-40-0) is a chemical compound with molecular formula C12H10N6O2 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide
Also Known As: N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide, 1H-1,3-Triazole, acetamide deriv., 1H-1,2,3-Triazole, acetamide deriv., Acetamide,2,3-triazol-5-yl]amino]-2-oxo-, N~1~-(1-Benzyl-4-cyano-1H-1,2,3-triazol-5-yl)ethanediamide
| Molecular Formula | C12H10N6O2 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.08652 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 77976-40-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(N=N2)C#N)NC(=O)C(=O)N |
| InChIKey | RSOHXTLJMHTTNE-UHFFFAOYSA-N |
Product Overview
N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide (CAS 77976-40-0), with molecular formula C12H10N6O2 and molecular weight 270.09 g/mol. IUPAC: N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide.
Chemical Property Profile of N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide
Property Insights of N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide. Following Lipinski's Rule of Five, N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide 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 N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide?
The CAS number of N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide is 77976-40-0.
What is the molecular formula of N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide?
The molecular formula of N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide is C12H10N6O2.
What is the molecular weight of N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide?
The molecular weight of N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide is 270.09 g/mol.
Where can I buy N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide?
You can request a quote for N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide?
Yes, KEHONG BIO provides custom synthesis services for N'-(3-benzyl-5-cyanotriazol-4-yl)oxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.