N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
TL;DR: N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CAS 923255-12-3) is a chemical compound with molecular formula C8H13N5 and molecular weight 179.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-1,2,4-triazol-5-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
Also Known As: N-(4H-1,2,4-triazol-3-yl)azepan-2-imine, N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine, N-4H-1,2,4-triazol-3-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine, N-(1H-1,2,4-triazol-5-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine, N-(2H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-azepin-2-amine
| Molecular Formula | C8H13N5 |
|---|---|
| Molecular Weight | 179.12 g/mol |
| LogP | 1.1891 |
| Topological Polar Surface Area | 65.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.1171 |
| Heavy Atoms | 13 |
| Complexity | 276.7343 |
Chemical Identifiers
| CAS Number | 923255-12-3 |
|---|---|
| SMILES | C1CCC(=NCC1)NC2=NC=NN2 |
Product Overview
N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CAS 923255-12-3), with molecular formula C8H13N5 and molecular weight 179.12 g/mol. IUPAC: N-(1H-1,2,4-triazol-5-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
Chemical Property Profile of N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
Property Insights of N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
The XLogP value of 1.1891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine. The TPSA of 65.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine. Following Lipinski's Rule of Five, N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-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 N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The CAS number of N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is 923255-12-3.
What is the molecular formula of N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The molecular formula of N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is C8H13N5.
What is the molecular weight of N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The molecular weight of N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is 179.12 g/mol.
Where can I buy N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
You can request a quote for N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4H-1,2,4-triazol-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.