4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 52883-26-8) is a chemical compound with molecular formula C6H11N3O and molecular weight 141.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diethyl-1H-1,2,4-triazol-5-one
Also Known As: 4,5-Diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 3,4-diethyl-1H-1,2,4-triazol-5-one, 3,4-diethyl-4,5-dihydro-1H-1,2,4-triazol-5-one, 3,4-Diethyl-1H-1,2,4-triazol-5(4H)-one, 4,5-diethyl-1,2,4-triazolone
| Molecular Formula | C6H11N3O |
|---|---|
| Molecular Weight | 141.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.09021 |
| Heavy Atoms | 10 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 52883-26-8 |
|---|---|
| SMILES | CCC1=NNC(=O)N1CC |
| InChIKey | UEUMMYRZUZKMRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 52883-26-8), with molecular formula C6H11N3O and molecular weight 141.09 g/mol. IUPAC: 3,4-diethyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 44.7 Ų, 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one has 1 hydrogen bond donor(s) and 2 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 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 52883-26-8.
What is the molecular formula of 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one is C6H11N3O.
What is the molecular weight of 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 141.09 g/mol.
Where can I buy 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.