5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile
TL;DR: 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile (CAS 121378-71-0) is a chemical compound with molecular formula C7H8N8S and molecular weight 236.05927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-(4-amino-1,2,4-triazol-3-yl)-3-methylsulfanylpyrazole-4-carbonitrile
Also Known As: 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile, 5-amino-1-(4-amino-1,2,4-triazol-3-yl)-3-methylsulfanylpyrazole-4-carbonitrile, 5-amino-1-(4-amino-1,2,4-triazol-3-yl)-3-(methylsulfanyl)pyrazole-4-carbonitrile
Technical Specifications
| Molecular Formula | C7H8N8S |
| Molecular Weight | 236.05927 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.05927 Da |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
| SMILES | CSC1=NN(C(=C1C#N)N)C2=NN=CN2N |
| InChIKey | ZHKYEAMIQSZXIL-UHFFFAOYSA-N |
Chemical Property Profile of 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile
Property Insights of 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile. The TPSA of 150.0 Ų indicates high polarity, suggesting 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile is 121378-71-0.
What is the molecular formula of 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile is C7H8N8S.
What is the molecular weight of 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile is 236.05927 g/mol.
Where can I buy 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-amino-1-(4-amino-4H-1,2,4-triazol-3-yl)-3-(methylthio)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.