5-chloro-1H-1,2,3-triazol-1-ol
TL;DR: 5-chloro-1H-1,2,3-triazol-1-ol (CAS 180791-71-3) is a chemical compound with molecular formula C2H2ClN3O and molecular weight 118.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-hydroxytriazole
Also Known As: 5-chloro-1H-1,2,3-triazol-1-ol, 5-chloro-1-hydroxytriazole, 1H-1,2,3-triazole, 5-chloro-1-hydroxy-, InChI=1/C2H2ClN3O/c3-2-1-4-5-6(2)7/h1,7
| Molecular Formula | C2H2ClN3O |
|---|---|
| Molecular Weight | 118.99 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.98864 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 180791-71-3 |
|---|---|
| SMILES | C1=C(N(N=N1)O)Cl |
| InChIKey | PIJUKNMCRGCJAQ-UHFFFAOYSA-N |
Product Overview
5-chloro-1H-1,2,3-triazol-1-ol (CAS 180791-71-3), with molecular formula C2H2ClN3O and molecular weight 118.99 g/mol. IUPAC: 5-chloro-1-hydroxytriazole.
Chemical Property Profile of 5-chloro-1H-1,2,3-triazol-1-ol
Property Insights of 5-chloro-1H-1,2,3-triazol-1-ol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1H-1,2,3-triazol-1-ol. With a topological polar surface area (TPSA) of 50.9 Ų, 5-chloro-1H-1,2,3-triazol-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-1H-1,2,3-triazol-1-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 5-chloro-1H-1,2,3-triazol-1-ol?
The CAS number of 5-chloro-1H-1,2,3-triazol-1-ol is 180791-71-3.
What is the molecular formula of 5-chloro-1H-1,2,3-triazol-1-ol?
The molecular formula of 5-chloro-1H-1,2,3-triazol-1-ol is C2H2ClN3O.
What is the molecular weight of 5-chloro-1H-1,2,3-triazol-1-ol?
The molecular weight of 5-chloro-1H-1,2,3-triazol-1-ol is 118.99 g/mol.
Where can I buy 5-chloro-1H-1,2,3-triazol-1-ol?
You can request a quote for 5-chloro-1H-1,2,3-triazol-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1H-1,2,3-triazol-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1H-1,2,3-triazol-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.