3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl-
TL;DR: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl- (CAS 54770-19-3) is a chemical compound with molecular formula C4H7N3O and molecular weight 113.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-1H-1,2,4-triazol-5-one
Also Known As: 3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one, 3,4-dimethyl-1H-1,2,4-triazol-5-one, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl-, 4,5-dimethyl-2H-1,2,4-triazol-3-one, 4,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
| Molecular Formula | C4H7N3O |
|---|---|
| Molecular Weight | 113.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.058914 |
| Heavy Atoms | 8 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 54770-19-3 |
|---|---|
| SMILES | CC1=NNC(=O)N1C |
| InChIKey | BVNFZLFQKJYVDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl- (CAS 54770-19-3), with molecular formula C4H7N3O and molecular weight 113.06 g/mol. IUPAC: 3,4-dimethyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl-
Property Insights of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl-
The XLogP value of -0.6 indicates that 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.7 Ų, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl- 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-4,5-dimethyl- 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-4,5-dimethyl-?
The CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl- is 54770-19-3.
What is the molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl-?
The molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl- is C4H7N3O.
What is the molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl-?
The molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl- is 113.06 g/mol.
Where can I buy 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl-?
You can request a quote for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl- 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-4,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.