3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline
TL;DR: 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline (CAS 500702-36-3) 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.
3-(5-methyltetrazol-1-yl)aniline
Also Known As: 3-(5-methyl-1H-tetrazol-1-yl)aniline, Cyclotridecane, 3-(5-methyltetrazol-1-yl)aniline, 3-(5-Methyl-tetrazol-1-yl)-phenylamine, 3-(5-methyl-tetrazol-1-yl)-aniline
| Molecular Formula | C8H9N5 |
|---|---|
| Molecular Weight | 175.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.0858 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 500702-36-3 |
|---|---|
| SMILES | CC1=NN=NN1C2=CC=CC(=C2)N |
| InChIKey | LRZJCDOGEFFSDN-UHFFFAOYSA-N |
Product Overview
3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline (CAS 500702-36-3), with molecular formula C8H9N5 and molecular weight 175.09 g/mol. IUPAC: 3-(5-methyltetrazol-1-yl)aniline.
Chemical Property Profile of 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline
Property Insights of 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline. Following Lipinski's Rule of Five, 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline 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 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline?
The CAS number of 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline is 500702-36-3.
What is the molecular formula of 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline?
The molecular formula of 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline is C8H9N5.
What is the molecular weight of 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline?
The molecular weight of 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline is 175.09 g/mol.
Where can I buy 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline?
You can request a quote for 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.