1,2,4-Triazole, 3-amino-, picrate
TL;DR: 1,2,4-Triazole, 3-amino-, picrate (CAS 7460-30-2) is a chemical compound with molecular formula C8H7N7O7 and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-1,2,4-triazol-5-amine;2,4,6-trinitrophenol
Also Known As: 1,2,4-Triazole, 3-amino-, picrate, 1H-1,2,4-triazol-5-amine,2,4,6-trinitrophenol, 1H-1,2,4-triazol-5-amine; 2,4,6-trinitrophenol, 1H-1,2,4-Triazol-3-amine, compd. with 2,4,6-trinitrophenol (1:1), 2,4,6-Trinitrophenol--1H-1,2,4-triazol-5-amine (1/1)
| Molecular Formula | C8H7N7O7 |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 0.5037 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.0407 |
| Heavy Atoms | 22 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 7460-30-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=NNC(=N1)N |
| InChIKey | AJIKUJCKFIEWMN-UHFFFAOYSA-N |
Product Overview
1,2,4-Triazole, 3-amino-, picrate (CAS 7460-30-2), with molecular formula C8H7N7O7 and molecular weight 313.04 g/mol. IUPAC: 1H-1,2,4-triazol-5-amine;2,4,6-trinitrophenol.
Chemical Property Profile of 1,2,4-Triazole, 3-amino-, picrate
Property Insights of 1,2,4-Triazole, 3-amino-, picrate
The XLogP value of 0.5037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazole, 3-amino-, picrate. The TPSA of 225.0 Ų indicates high polarity, suggesting 1,2,4-Triazole, 3-amino-, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,4-Triazole, 3-amino-, picrate has 3 hydrogen bond donor(s) and 10 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 1,2,4-Triazole, 3-amino-, picrate?
The CAS number of 1,2,4-Triazole, 3-amino-, picrate is 7460-30-2.
What is the molecular formula of 1,2,4-Triazole, 3-amino-, picrate?
The molecular formula of 1,2,4-Triazole, 3-amino-, picrate is C8H7N7O7.
What is the molecular weight of 1,2,4-Triazole, 3-amino-, picrate?
The molecular weight of 1,2,4-Triazole, 3-amino-, picrate is 313.04 g/mol.
Where can I buy 1,2,4-Triazole, 3-amino-, picrate?
You can request a quote for 1,2,4-Triazole, 3-amino-, picrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazole, 3-amino-, picrate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazole, 3-amino-, picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.