n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide
TL;DR: n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide (CAS 35306-34-4) is a chemical compound with molecular formula C5H7ClN4O and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-1,2,4-triazole-1-carboxamide
Also Known As: n-(2-chloroethyl)-1h-1,2,4-triazole-1-carboxamide, N-(2-chloroethyl)-1,2,4-triazole-1-carboxamide
| Molecular Formula | C5H7ClN4O |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.03084 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 35306-34-4 |
|---|---|
| SMILES | C1=NN(C=N1)C(=O)NCCCl |
| InChIKey | DGQZJWWCQNUSQP-UHFFFAOYSA-N |
Product Overview
n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide (CAS 35306-34-4), with molecular formula C5H7ClN4O and molecular weight 174.03 g/mol. IUPAC: N-(2-chloroethyl)-1,2,4-triazole-1-carboxamide.
Chemical Property Profile of n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide
Property Insights of n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide. With a topological polar surface area (TPSA) of 59.8 Ų, n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide has 1 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 n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide?
The CAS number of n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide is 35306-34-4.
What is the molecular formula of n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide?
The molecular formula of n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide is C5H7ClN4O.
What is the molecular weight of n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide?
The molecular weight of n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide is 174.03 g/mol.
Where can I buy n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide?
You can request a quote for n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.