1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-
TL;DR: 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)- (CAS 51719-87-0) is a chemical compound with molecular formula C7H8N4O and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(5-methyl-2H-triazol-4-yl)-1,2-oxazole
Also Known As: 1H-1,2,3-Triazole,4-methyl-5- -, 3-Methyl-5-(5-methyl-2H-1,2,3-triazol-4-yl)isoxazole, 4-Methyl-5-(3-methyl-5-isoxazolyl)-1H-1,2,3-triazole, 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-, 3-methyl-5-(5-methyl-2H-triazol-4-yl)-1,2-oxazole
| Molecular Formula | C7H8N4O |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.06981 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 51719-87-0 |
|---|---|
| SMILES | CC1=NOC(=C1)C2=NNN=C2C |
| InChIKey | HDJQZLZRTJMKAR-UHFFFAOYSA-N |
Product Overview
1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)- (CAS 51719-87-0), with molecular formula C7H8N4O and molecular weight 164.07 g/mol. IUPAC: 3-methyl-5-(5-methyl-2H-triazol-4-yl)-1,2-oxazole.
Chemical Property Profile of 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-
Property Insights of 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-. Following Lipinski's Rule of Five, 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)- has 1 hydrogen bond donor(s) and 4 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 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-?
The CAS number of 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)- is 51719-87-0.
What is the molecular formula of 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-?
The molecular formula of 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)- is C7H8N4O.
What is the molecular weight of 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-?
The molecular weight of 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)- is 164.07 g/mol.
Where can I buy 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-?
You can request a quote for 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,3-Triazole, 4-methyl-5-(3-methyl-5-isoxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.