5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile
TL;DR: 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile (CAS 20271-35-6) is a chemical compound with molecular formula C10H9N5 and molecular weight 199.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-benzyltriazole-4-carbonitrile
Also Known As: 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile, 5-amino-1-benzyltriazole-4-carbonitrile, ZERO/001966, 5-amino-1-benzyl-triazole-4-carbonitrile, 5-amino-1-benzyl-1,2,3-triazole-4-carbonitrile
| Molecular Formula | C10H9N5 |
|---|---|
| Molecular Weight | 199.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.0858 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 20271-35-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(N=N2)C#N)N |
| InChIKey | XWQIUVCDURLODQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile (CAS 20271-35-6), with molecular formula C10H9N5 and molecular weight 199.09 g/mol. IUPAC: 5-amino-1-benzyltriazole-4-carbonitrile.
Chemical Property Profile of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile
Property Insights of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile has 1 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 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile?
The CAS number of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile is 20271-35-6.
What is the molecular formula of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile?
The molecular formula of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile is C10H9N5.
What is the molecular weight of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile?
The molecular weight of 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile is 199.09 g/mol.
Where can I buy 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile?
You can request a quote for 5-amino-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 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.