1-benzyl-1H-1,2,3-triazole-4-carbonitrile
TL;DR: 1-benzyl-1H-1,2,3-triazole-4-carbonitrile (CAS 202003-07-4) is a chemical compound with molecular formula C10H8N4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyltriazole-4-carbonitrile
Also Known As: 1-benzyl-1H-1,2,3-triazole-4-carbonitrile, 1-benzyltriazole-4-carbonitrile, 1-Benzyl-1H-[1,2,3]triazole-4-carbonitrile, ChemDiv2_000339, 1-benzyl-1,2,3-triazole-4-carbonitrile
| Molecular Formula | C10H8N4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07489 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 202003-07-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(N=N2)C#N |
| InChIKey | LTZMLSUPKREZNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-benzyl-1H-1,2,3-triazole-4-carbonitrile (CAS 202003-07-4), with molecular formula C10H8N4 and molecular weight 184.07 g/mol. IUPAC: 1-benzyltriazole-4-carbonitrile.
Chemical Property Profile of 1-benzyl-1H-1,2,3-triazole-4-carbonitrile
Property Insights of 1-benzyl-1H-1,2,3-triazole-4-carbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-1H-1,2,3-triazole-4-carbonitrile. With a topological polar surface area (TPSA) of 54.5 Ų, 1-benzyl-1H-1,2,3-triazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-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-benzyl-1H-1,2,3-triazole-4-carbonitrile?
The CAS number of 1-benzyl-1H-1,2,3-triazole-4-carbonitrile is 202003-07-4.
What is the molecular formula of 1-benzyl-1H-1,2,3-triazole-4-carbonitrile?
The molecular formula of 1-benzyl-1H-1,2,3-triazole-4-carbonitrile is C10H8N4.
What is the molecular weight of 1-benzyl-1H-1,2,3-triazole-4-carbonitrile?
The molecular weight of 1-benzyl-1H-1,2,3-triazole-4-carbonitrile is 184.07 g/mol.
Where can I buy 1-benzyl-1H-1,2,3-triazole-4-carbonitrile?
You can request a quote for 1-benzyl-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-benzyl-1H-1,2,3-triazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-1H-1,2,3-triazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.