4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 83031-64-5) is a chemical compound with molecular formula C12H12N6S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(3-methyl-5-phenylpyrazol-1-yl)-1H-1,2,4-triazole-5-thione
Also Known As: AB00106436-01, AN-655/14022003, 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol, 4-amino-3-(3-methyl-5-phenylpyrazol-1-yl)-1H-1,2,4-triazole-5-thione, 4-amino-5-(3-methyl-5-phenyl-1-pyrazolyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C12H12N6S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0844 |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 83031-64-5 |
|---|---|
| SMILES | CC1=NN(C(=C1)C2=CC=CC=C2)C3=NNC(=S)N3N |
| InChIKey | JGCXBHRWEUVLGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 83031-64-5), with molecular formula C12H12N6S and molecular weight 272.08 g/mol. IUPAC: 4-amino-3-(3-methyl-5-phenylpyrazol-1-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol has 2 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 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol is 83031-64-5.
What is the molecular formula of 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol is C12H12N6S.
What is the molecular weight of 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol is 272.08 g/mol.
Where can I buy 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.