[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea
TL;DR: [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea (CAS 338418-51-2) is a chemical compound with molecular formula C5H8N6O and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]urea
Also Known As: [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]urea, [2-(1H-1,2,4-triazol-1-yl)ethanimidoyl]urea, N-[2-(1H-1,2,4-triazol-1-yl)ethanimidoyl]urea
| Molecular Formula | C5H8N6O |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | -1.286 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07596 |
| Heavy Atoms | 12 |
| Complexity | 288.8969 |
Chemical Identifiers
| CAS Number | 338418-51-2 |
|---|---|
| SMILES | C1=NN(C=N1)CC(=NC(=O)N)N |
Product Overview
[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea (CAS 338418-51-2), with molecular formula C5H8N6O and molecular weight 168.08 g/mol. IUPAC: [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]urea.
Chemical Property Profile of [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea
Property Insights of [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea
The XLogP value of -1.286 indicates that [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea. Following Lipinski's Rule of Five, [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea 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 [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea?
The CAS number of [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea is 338418-51-2.
What is the molecular formula of [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea?
The molecular formula of [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea is C5H8N6O.
What is the molecular weight of [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea?
The molecular weight of [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea is 168.08 g/mol.
Where can I buy [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea?
You can request a quote for [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea?
Yes, KEHONG BIO provides custom synthesis services for [1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.