3-Heptyl-1H-1,2,4-triazol-5-amine
TL;DR: 3-Heptyl-1H-1,2,4-triazol-5-amine (CAS 898764-86-8) is a chemical compound with molecular formula C9H18N4 and molecular weight 182.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptyl-1H-1,2,4-triazol-3-amine
Also Known As: 3-Heptyl-1H-1,2,4-triazol-5-amine, 5-heptyl-1H-1,2,4-triazol-3-amine, starbld0043101, 3-amino-5-heptyl-1,2,4-triazole, 5-Heptyl-1H-[1,2,4]triazol-3-ylamine
| Molecular Formula | C9H18N4 |
|---|---|
| Molecular Weight | 182.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.15315 |
| Heavy Atoms | 13 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 898764-86-8 |
|---|---|
| SMILES | CCCCCCCC1=NC(=NN1)N |
| InChIKey | YLMXGBDXGVPHRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Heptyl-1H-1,2,4-triazol-5-amine (CAS 898764-86-8), with molecular formula C9H18N4 and molecular weight 182.15 g/mol. IUPAC: 5-heptyl-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-Heptyl-1H-1,2,4-triazol-5-amine
Property Insights of 3-Heptyl-1H-1,2,4-triazol-5-amine
The XLogP value of 3.0 indicates that 3-Heptyl-1H-1,2,4-triazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Heptyl-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-Heptyl-1H-1,2,4-triazol-5-amine has 2 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 3-Heptyl-1H-1,2,4-triazol-5-amine?
The CAS number of 3-Heptyl-1H-1,2,4-triazol-5-amine is 898764-86-8.
What is the molecular formula of 3-Heptyl-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-Heptyl-1H-1,2,4-triazol-5-amine is C9H18N4.
What is the molecular weight of 3-Heptyl-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-Heptyl-1H-1,2,4-triazol-5-amine is 182.15 g/mol.
Where can I buy 3-Heptyl-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-Heptyl-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 3-Heptyl-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptyl-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.