1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea
TL;DR: 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea (CAS 92587-08-1) 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-butyl-3-(1H-1,2,4-triazol-5-yl)urea
Also Known As: 1-butyl-3-(1h-1,2,4-triazol-5-yl)urea, N-Butyl-N'-(1H-1,2,4-triazol-5-yl)urea, 1-butyl-3-(1H-[1,2,4]triazol-3-yl)-urea
| Molecular Formula | C7H13N5O |
|---|---|
| Molecular Weight | 183.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.11201 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 92587-08-1 |
|---|---|
| SMILES | CCCCNC(=O)NC1=NC=NN1 |
| InChIKey | MYRXZZDVUMRFNR-UHFFFAOYSA-N |
Product Overview
1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea (CAS 92587-08-1), with molecular formula C7H13N5O and molecular weight 183.11 g/mol. IUPAC: 1-butyl-3-(1H-1,2,4-triazol-5-yl)urea.
Chemical Property Profile of 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea
Property Insights of 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea. Following Lipinski's Rule of Five, 1-Butyl-3-(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 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea?
The CAS number of 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea is 92587-08-1.
What is the molecular formula of 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea?
The molecular formula of 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea is C7H13N5O.
What is the molecular weight of 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea?
The molecular weight of 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea is 183.11 g/mol.
Where can I buy 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea?
You can request a quote for 1-Butyl-3-(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 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.