3-Picrylamino-1,2,4-triazole
TL;DR: 3-Picrylamino-1,2,4-triazole (CAS 18212-12-9) is a chemical compound with molecular formula C8H5N7O6 and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-5-amine
Also Known As: 3-Picrylamino-1,2,4-triazole, PATO, picrylamino-1,2,4-triazole, Ex182, N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-5-amine
| Molecular Formula | C8H5N7O6 |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 1.2729 |
| Topological Polar Surface Area | 183.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.03012 |
| Heavy Atoms | 21 |
| Complexity | 691.717 |
Chemical Identifiers
| CAS Number | 18212-12-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NC=NN2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-Picrylamino-1,2,4-triazole (CAS 18212-12-9), with molecular formula C8H5N7O6 and molecular weight 295.03 g/mol. IUPAC: N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 3-Picrylamino-1,2,4-triazole
Property Insights of 3-Picrylamino-1,2,4-triazole
The XLogP value of 1.2729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Picrylamino-1,2,4-triazole. The TPSA of 183.02 Ų indicates high polarity, suggesting 3-Picrylamino-1,2,4-triazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Picrylamino-1,2,4-triazole has 2 hydrogen bond donor(s) and 9 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 3-Picrylamino-1,2,4-triazole?
The CAS number of 3-Picrylamino-1,2,4-triazole is 18212-12-9.
What is the molecular formula of 3-Picrylamino-1,2,4-triazole?
The molecular formula of 3-Picrylamino-1,2,4-triazole is C8H5N7O6.
What is the molecular weight of 3-Picrylamino-1,2,4-triazole?
The molecular weight of 3-Picrylamino-1,2,4-triazole is 295.03 g/mol.
Where can I buy 3-Picrylamino-1,2,4-triazole?
You can request a quote for 3-Picrylamino-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Picrylamino-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Picrylamino-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.