N5-Phenyl-1H-1,2,4-triazole-3,5-diamine
TL;DR: N5-Phenyl-1H-1,2,4-triazole-3,5-diamine (CAS 3310-68-7) is a chemical compound with molecular formula C8H9N5 and molecular weight 175.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-phenyl-1H-1,2,4-triazole-3,5-diamine
Also Known As: N-Phenyl-1H-1,2,4-triazole-3,5-diamine, n3-phenyl-1h-1,2,4-triazole-3,5-diamine, JK-31 compound, Maybridge3_007574, GUANAZOLE, N-PHENYL-
| Molecular Formula | C8H9N5 |
|---|---|
| Molecular Weight | 175.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 79.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.0858 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 3310-68-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NNC(=N2)N |
| InChIKey | SFXBTXYONCDQJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N5-Phenyl-1H-1,2,4-triazole-3,5-diamine (CAS 3310-68-7), with molecular formula C8H9N5 and molecular weight 175.09 g/mol. IUPAC: 3-N-phenyl-1H-1,2,4-triazole-3,5-diamine.
Chemical Property Profile of N5-Phenyl-1H-1,2,4-triazole-3,5-diamine
Property Insights of N5-Phenyl-1H-1,2,4-triazole-3,5-diamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N5-Phenyl-1H-1,2,4-triazole-3,5-diamine. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N5-Phenyl-1H-1,2,4-triazole-3,5-diamine. Following Lipinski's Rule of Five, N5-Phenyl-1H-1,2,4-triazole-3,5-diamine has 3 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 N5-Phenyl-1H-1,2,4-triazole-3,5-diamine?
The CAS number of N5-Phenyl-1H-1,2,4-triazole-3,5-diamine is 3310-68-7.
What is the molecular formula of N5-Phenyl-1H-1,2,4-triazole-3,5-diamine?
The molecular formula of N5-Phenyl-1H-1,2,4-triazole-3,5-diamine is C8H9N5.
What is the molecular weight of N5-Phenyl-1H-1,2,4-triazole-3,5-diamine?
The molecular weight of N5-Phenyl-1H-1,2,4-triazole-3,5-diamine is 175.09 g/mol.
Where can I buy N5-Phenyl-1H-1,2,4-triazole-3,5-diamine?
You can request a quote for N5-Phenyl-1H-1,2,4-triazole-3,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N5-Phenyl-1H-1,2,4-triazole-3,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for N5-Phenyl-1H-1,2,4-triazole-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.