N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
TL;DR: N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide (CAS 444110-48-9) is a chemical compound with molecular formula C11H12N4O and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
Also Known As: BAS 01048251, N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide, N-(4-ethylphenyl)-1H-1,2,4-triazole-3-carboxamide, 1H-[1,2,4]Triazole-3-carboxylic acid (4-ethyl-phenyl)-amide, 1H-1,2,4-Triazole-3-carboxamide, N-(4-ethylphenyl)- (9CI)
| Molecular Formula | C11H12N4O |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.1011 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 444110-48-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)C2=NC=NN2 |
| InChIKey | HGHBIYWLCNRPOR-UHFFFAOYSA-N |
Product Overview
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide (CAS 444110-48-9), with molecular formula C11H12N4O and molecular weight 216.10 g/mol. IUPAC: N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide.
Chemical Property Profile of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
Property Insights of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide. Following Lipinski's Rule of Five, N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide 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 N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The CAS number of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide is 444110-48-9.
What is the molecular formula of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The molecular formula of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide is C11H12N4O.
What is the molecular weight of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The molecular weight of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide is 216.10 g/mol.
Where can I buy N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
You can request a quote for N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.