3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl-
TL;DR: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl- (CAS 114849-01-3) is a chemical compound with molecular formula C4H5N3O and molecular weight 111.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethenyl-1H-1,2,4-triazol-5-one
Also Known As: 4-Vinyl-1,2,4-triazol-3-one, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl-, 2,4-Dihydro-4-ethenyl-3H-1,2,4-triazol-3-one, 4-ethenyl-1H-1,2,4-triazol-5-one, 4-Ethenyl-4H-1,2,4-triazol-3(2H)-one
| Molecular Formula | C4H5N3O |
|---|---|
| Molecular Weight | 111.04 g/mol |
| LogP | -0.3281 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.04326 |
| Heavy Atoms | 8 |
| Complexity | 233.4315 |
Chemical Identifiers
| CAS Number | 114849-01-3 |
|---|---|
| SMILES | C=CN1C=NNC1=O |
Product Overview
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl- (CAS 114849-01-3), with molecular formula C4H5N3O and molecular weight 111.04 g/mol. IUPAC: 4-ethenyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl-
Property Insights of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl-
The XLogP value of -0.3281 indicates that 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.68 Ų, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl- 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 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl-?
The CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl- is 114849-01-3.
What is the molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl-?
The molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl- is C4H5N3O.
What is the molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl-?
The molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl- is 111.04 g/mol.
Where can I buy 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl-?
You can request a quote for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.