3,5-Dimethyl-4H-1,2,4-triazol-4-ol
TL;DR: 3,5-Dimethyl-4H-1,2,4-triazol-4-ol (CAS 35869-74-0) 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.
4-hydroxy-3,5-dimethyl-1,2,4-triazole
Also Known As: 3,5-Dimethyl-4H-1,2,4-triazol-4-ol, dimethyl-4H-1,2,4-triazol-4-ol, 4-hydroxy-3,5-dimethyl-1,2,4-triazole
| Molecular Formula | C4H7N3O |
|---|---|
| Molecular Weight | 113.06 g/mol |
| LogP | 0.13224 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.058914 |
| Heavy Atoms | 8 |
| Complexity | 173.66353 |
Chemical Identifiers
| CAS Number | 35869-74-0 |
|---|---|
| SMILES | CC1=NN=C(N1O)C |
Product Overview
3,5-Dimethyl-4H-1,2,4-triazol-4-ol (CAS 35869-74-0), with molecular formula C4H7N3O and molecular weight 113.06 g/mol. IUPAC: 4-hydroxy-3,5-dimethyl-1,2,4-triazole.
Chemical Property Profile of 3,5-Dimethyl-4H-1,2,4-triazol-4-ol
Property Insights of 3,5-Dimethyl-4H-1,2,4-triazol-4-ol
The XLogP value of 0.13224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4H-1,2,4-triazol-4-ol. With a topological polar surface area (TPSA) of 50.94 Ų, 3,5-Dimethyl-4H-1,2,4-triazol-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4H-1,2,4-triazol-4-ol has 1 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 3,5-Dimethyl-4H-1,2,4-triazol-4-ol?
The CAS number of 3,5-Dimethyl-4H-1,2,4-triazol-4-ol is 35869-74-0.
What is the molecular formula of 3,5-Dimethyl-4H-1,2,4-triazol-4-ol?
The molecular formula of 3,5-Dimethyl-4H-1,2,4-triazol-4-ol is C4H7N3O.
What is the molecular weight of 3,5-Dimethyl-4H-1,2,4-triazol-4-ol?
The molecular weight of 3,5-Dimethyl-4H-1,2,4-triazol-4-ol is 113.06 g/mol.
Where can I buy 3,5-Dimethyl-4H-1,2,4-triazol-4-ol?
You can request a quote for 3,5-Dimethyl-4H-1,2,4-triazol-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4H-1,2,4-triazol-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4H-1,2,4-triazol-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.