N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea
TL;DR: N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea (CAS 76932-34-8) is a chemical compound with molecular formula C9H9N5O and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-phenyl-1H-1,2,4-triazol-3-yl)urea
Also Known As: N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea, 3-Phenyl-5-ureido-1,2,4-triazole, NCIStruc1_000236, NCIStruc2_000270, 1-(5-phenyl-1h-1,2,4-triazol-3-yl)urea
| Molecular Formula | C9H9N5O |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.0807 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 76932-34-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N |
| InChIKey | RUQGXFJIPMDCFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea (CAS 76932-34-8), with molecular formula C9H9N5O and molecular weight 203.08 g/mol. IUPAC: (5-phenyl-1H-1,2,4-triazol-3-yl)urea.
Chemical Property Profile of N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea
Property Insights of N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea. Following Lipinski's Rule of Five, N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea has 3 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-(3-phenyl-1H-1,2,4-triazol-5-yl)urea?
The CAS number of N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea is 76932-34-8.
What is the molecular formula of N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea?
The molecular formula of N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea is C9H9N5O.
What is the molecular weight of N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea?
The molecular weight of N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea is 203.08 g/mol.
Where can I buy N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea?
You can request a quote for N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.