1H-1,2,4-Triazole, 3-chloro-5-methyl-
TL;DR: 1H-1,2,4-Triazole, 3-chloro-5-methyl- (CAS 64304-36-5) is a chemical compound with molecular formula C3H4ClN3 and molecular weight 117.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-methyl-1H-1,2,4-triazole
Also Known As: 3-Chloro-5-methyl-1H-1,2,4-triazole, 3-Chloro-5-methyl-1,2,4-triazole, 5-chloro-3-methyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-chloro-5-methyl-, s-Triazole, 3-chloro-5-methyl-
| Molecular Formula | C3H4ClN3 |
|---|---|
| Molecular Weight | 117.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.00938 |
| Heavy Atoms | 7 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 64304-36-5 |
|---|---|
| SMILES | CC1=NC(=NN1)Cl |
| InChIKey | AEDKVRCTAMEXHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,4-Triazole, 3-chloro-5-methyl- (CAS 64304-36-5), with molecular formula C3H4ClN3 and molecular weight 117.01 g/mol. IUPAC: 3-chloro-5-methyl-1H-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 3-chloro-5-methyl-
Property Insights of 1H-1,2,4-Triazole, 3-chloro-5-methyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 3-chloro-5-methyl-. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-1,2,4-Triazole, 3-chloro-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-chloro-5-methyl- 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 1H-1,2,4-Triazole, 3-chloro-5-methyl-?
The CAS number of 1H-1,2,4-Triazole, 3-chloro-5-methyl- is 64304-36-5.
What is the molecular formula of 1H-1,2,4-Triazole, 3-chloro-5-methyl-?
The molecular formula of 1H-1,2,4-Triazole, 3-chloro-5-methyl- is C3H4ClN3.
What is the molecular weight of 1H-1,2,4-Triazole, 3-chloro-5-methyl-?
The molecular weight of 1H-1,2,4-Triazole, 3-chloro-5-methyl- is 117.01 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-chloro-5-methyl-?
You can request a quote for 1H-1,2,4-Triazole, 3-chloro-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 3-chloro-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 3-chloro-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.