2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide
TL;DR: 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide (CAS 5324-64-1) is a chemical compound with molecular formula C4H5ClN4O and molecular weight 160.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(1H-1,2,4-triazol-5-yl)acetamide
Also Known As: 2-Chloro-N-(1H-[1,2,4]triazol-3-yl)-acetamide, 2-chloro-n-(1h-1,2,4-triazol-5-yl)acetamide, 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide, 3-Chloracetylamino-1,2,4-triazol, 5004AE
| Molecular Formula | C4H5ClN4O |
|---|---|
| Molecular Weight | 160.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.01518 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 5324-64-1 |
|---|---|
| SMILES | C1=NNC(=N1)NC(=O)CCl |
| InChIKey | LJTMQKUBHSDQHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide (CAS 5324-64-1), with molecular formula C4H5ClN4O and molecular weight 160.02 g/mol. IUPAC: 2-chloro-N-(1H-1,2,4-triazol-5-yl)acetamide.
Chemical Property Profile of 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide
Property Insights of 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide. Following Lipinski's Rule of Five, 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide has 2 hydrogen bond donor(s) and 3 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 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide?
The CAS number of 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide is 5324-64-1.
What is the molecular formula of 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide?
The molecular formula of 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide is C4H5ClN4O.
What is the molecular weight of 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide?
The molecular weight of 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide is 160.02 g/mol.
Where can I buy 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide?
You can request a quote for 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.