1-benzyl-1H-1,2,4-triazol-5-amine
TL;DR: 1-benzyl-1H-1,2,4-triazol-5-amine (CAS 103262-22-2) is a chemical compound with molecular formula C9H10N4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1,2,4-triazol-3-amine
Also Known As: 1-benzyl-1h-1,2,4-triazol-5-amine, 2-benzyl-1,2,4-triazol-3-amine, 875-322-5, RefChem:429737
| Molecular Formula | C9H10N4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.09055 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 103262-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NC=N2)N |
| InChIKey | FEKTZCRTGOLRRL-UHFFFAOYSA-N |
Product Overview
1-benzyl-1H-1,2,4-triazol-5-amine (CAS 103262-22-2), with molecular formula C9H10N4 and molecular weight 174.09 g/mol. IUPAC: 2-benzyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 1-benzyl-1H-1,2,4-triazol-5-amine
Property Insights of 1-benzyl-1H-1,2,4-triazol-5-amine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-1H-1,2,4-triazol-5-amine. With a topological polar surface area (TPSA) of 56.7 Ų, 1-benzyl-1H-1,2,4-triazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-1H-1,2,4-triazol-5-amine has 1 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-1,2,4-triazol-5-amine?
The CAS number of 1-benzyl-1H-1,2,4-triazol-5-amine is 103262-22-2.
What is the molecular formula of 1-benzyl-1H-1,2,4-triazol-5-amine?
The molecular formula of 1-benzyl-1H-1,2,4-triazol-5-amine is C9H10N4.
What is the molecular weight of 1-benzyl-1H-1,2,4-triazol-5-amine?
The molecular weight of 1-benzyl-1H-1,2,4-triazol-5-amine is 174.09 g/mol.
Where can I buy 1-benzyl-1H-1,2,4-triazol-5-amine?
You can request a quote for 1-benzyl-1H-1,2,4-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 1-benzyl-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.