1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea
TL;DR: 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea (CAS 364609-44-9) is a chemical compound with molecular formula C7H13N5O and molecular weight 183.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-ethylurea
Also Known As: 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea, 1-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-ethylurea
| Molecular Formula | C7H13N5O |
|---|---|
| Molecular Weight | 183.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.11201 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 364609-44-9 |
|---|---|
| SMILES | CCNC(=O)NN1C(=NN=C1C)C |
| InChIKey | IXDNJYUQEOXDQJ-UHFFFAOYSA-N |
Product Overview
1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea (CAS 364609-44-9), with molecular formula C7H13N5O and molecular weight 183.11 g/mol. IUPAC: 1-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-ethylurea.
Chemical Property Profile of 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea
Property Insights of 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea. Following Lipinski's Rule of Five, 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea 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-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea?
The CAS number of 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea is 364609-44-9.
What is the molecular formula of 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea?
The molecular formula of 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea is C7H13N5O.
What is the molecular weight of 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea?
The molecular weight of 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea is 183.11 g/mol.
Where can I buy 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea?
You can request a quote for 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-ethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.