4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine
TL;DR: 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine (CAS 28539-33-5) is a chemical compound with molecular formula C10H13N5 and molecular weight 203.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(aminomethyl)-3-benzyltriazol-4-amine
Also Known As: 5-(aminomethyl)-3-benzyltriazol-4-amine, 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine, NCI60_002711, 1,2,3-Triazole, 4-amino-5-aminomethyl-3-benzyl-, 5-(aminomethyl)-3-benzyl-3h-1,2,3-triazol-4-amine
| Molecular Formula | C10H13N5 |
|---|---|
| Molecular Weight | 203.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.1171 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 28539-33-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(N=N2)CN)N |
| InChIKey | HKFNHXKHVGIJBA-UHFFFAOYSA-N |
Product Overview
4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine (CAS 28539-33-5), with molecular formula C10H13N5 and molecular weight 203.12 g/mol. IUPAC: 5-(aminomethyl)-3-benzyltriazol-4-amine.
Chemical Property Profile of 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine
Property Insights of 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine. Following Lipinski's Rule of Five, 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine has 2 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 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine?
The CAS number of 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine is 28539-33-5.
What is the molecular formula of 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine?
The molecular formula of 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine is C10H13N5.
What is the molecular weight of 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine?
The molecular weight of 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine is 203.12 g/mol.
Where can I buy 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine?
You can request a quote for 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Aminomethyl)-1-benzyl-1H-1,2,3-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.