1-phenyl-1H-1,2,3-triazole-4-carbonitrile
TL;DR: 1-phenyl-1H-1,2,3-triazole-4-carbonitrile (CAS 61456-87-9) is a chemical compound with molecular formula C9H6N4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyltriazole-4-carbonitrile
Also Known As: 1-phenyl-1H-1,2,3-triazole-4-carbonitrile, 1-phenyltriazole-4-carbonitrile, 1H-1,2,3-Triazole-4-carbonitrile, 1-phenyl-, 1-phenyl-1H-[1,2,3]triazole-4-carbonitrile, InChI=1/C9H6N4/c10-6-8-7-13(12-11-8)9-4-2-1-3-5-9/h1-5,7
| Molecular Formula | C9H6N4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 1.13898 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.05925 |
| Heavy Atoms | 13 |
| Complexity | 438.1383 |
Chemical Identifiers
| CAS Number | 61456-87-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(N=N2)C#N |
Product Overview
1-phenyl-1H-1,2,3-triazole-4-carbonitrile (CAS 61456-87-9), with molecular formula C9H6N4 and molecular weight 170.06 g/mol. IUPAC: 1-phenyltriazole-4-carbonitrile.
Chemical Property Profile of 1-phenyl-1H-1,2,3-triazole-4-carbonitrile
Property Insights of 1-phenyl-1H-1,2,3-triazole-4-carbonitrile
The XLogP value of 1.13898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-1H-1,2,3-triazole-4-carbonitrile. With a topological polar surface area (TPSA) of 54.5 Ų, 1-phenyl-1H-1,2,3-triazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenyl-1H-1,2,3-triazole-4-carbonitrile has 0 hydrogen bond donor(s) and 3 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-phenyl-1H-1,2,3-triazole-4-carbonitrile?
The CAS number of 1-phenyl-1H-1,2,3-triazole-4-carbonitrile is 61456-87-9.
What is the molecular formula of 1-phenyl-1H-1,2,3-triazole-4-carbonitrile?
The molecular formula of 1-phenyl-1H-1,2,3-triazole-4-carbonitrile is C9H6N4.
What is the molecular weight of 1-phenyl-1H-1,2,3-triazole-4-carbonitrile?
The molecular weight of 1-phenyl-1H-1,2,3-triazole-4-carbonitrile is 170.06 g/mol.
Where can I buy 1-phenyl-1H-1,2,3-triazole-4-carbonitrile?
You can request a quote for 1-phenyl-1H-1,2,3-triazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-1H-1,2,3-triazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-1H-1,2,3-triazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.