1-benzyl-1H-1,2,3,4-tetrazol-5-amine
TL;DR: 1-benzyl-1H-1,2,3,4-tetrazol-5-amine (CAS 31694-90-3) 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.
1-benzyltetrazol-5-amine
Also Known As: 1-benzyl-1H-tetrazol-5-amine, 1-benzyltetrazol-5-amine, 1-benzyl-1H-1,2,3,4-tetrazol-5-amine, ChemDiv2_000205, 5-amino-1-benzyltetrazole
| Molecular Formula | C8H9N5 |
|---|---|
| Molecular Weight | 175.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.0858 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 31694-90-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=N2)N |
| InChIKey | CGGBUAWMFFPBOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-benzyl-1H-1,2,3,4-tetrazol-5-amine (CAS 31694-90-3), with molecular formula C8H9N5 and molecular weight 175.09 g/mol. IUPAC: 1-benzyltetrazol-5-amine.
Chemical Property Profile of 1-benzyl-1H-1,2,3,4-tetrazol-5-amine
Property Insights of 1-benzyl-1H-1,2,3,4-tetrazol-5-amine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-1H-1,2,3,4-tetrazol-5-amine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-1H-1,2,3,4-tetrazol-5-amine. Following Lipinski's Rule of Five, 1-benzyl-1H-1,2,3,4-tetrazol-5-amine 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 1-benzyl-1H-1,2,3,4-tetrazol-5-amine?
The CAS number of 1-benzyl-1H-1,2,3,4-tetrazol-5-amine is 31694-90-3.
What is the molecular formula of 1-benzyl-1H-1,2,3,4-tetrazol-5-amine?
The molecular formula of 1-benzyl-1H-1,2,3,4-tetrazol-5-amine is C8H9N5.
What is the molecular weight of 1-benzyl-1H-1,2,3,4-tetrazol-5-amine?
The molecular weight of 1-benzyl-1H-1,2,3,4-tetrazol-5-amine is 175.09 g/mol.
Where can I buy 1-benzyl-1H-1,2,3,4-tetrazol-5-amine?
You can request a quote for 1-benzyl-1H-1,2,3,4-tetrazol-5-amine 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-1,2,3,4-tetrazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-1H-1,2,3,4-tetrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.