1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-
TL;DR: 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl- (CAS 4923-03-9) 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-phenyl-1,2,4-triazole-1,5-diamine
Also Known As: 1,5-Diamino-3-phenyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-, 3-phenyl-1,2,4-triazole-1,5-diamine, 1H-1,2,4-Triazole-1,5-diamine, 3-phenyl-, 3-Phenyl-1H-1,2,4-triazole-1,5-diamine
| Molecular Formula | C8H9N5 |
|---|---|
| Molecular Weight | 175.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.0858 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 4923-03-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=N2)N)N |
| InChIKey | AMQVYMMYAWYAJK-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole, 1,5-diamino-3-phenyl- (CAS 4923-03-9), with molecular formula C8H9N5 and molecular weight 175.09 g/mol. IUPAC: 3-phenyl-1,2,4-triazole-1,5-diamine.
Chemical Property Profile of 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-
Property Insights of 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl- 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 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-?
The CAS number of 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl- is 4923-03-9.
What is the molecular formula of 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-?
The molecular formula of 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl- is C8H9N5.
What is the molecular weight of 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-?
The molecular weight of 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl- is 175.09 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-?
You can request a quote for 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1,5-diamino-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.