1H-1,2,4-Triazol-3-amine, 1-ethyl-
TL;DR: 1H-1,2,4-Triazol-3-amine, 1-ethyl- (CAS 314035-95-5) is a chemical compound with molecular formula C4H8N4 and molecular weight 112.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-1,2,4-triazol-3-amine
Also Known As: 1-Ethyl-1H-1,2,4-triazol-3-amine, 1-ethyl-1,2,4-triazol-3-amine, 1H-1,2,4-Triazol-3-amine, 1-ethyl-, 1-ETHYL-1H-[1,2,4]TRIAZOL-3-YLAMINE, 1H-1,2,4-Triazole-3-amine,1-ethyl-
| Molecular Formula | C4H8N4 |
|---|---|
| Molecular Weight | 112.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.0749 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 314035-95-5 |
|---|---|
| SMILES | CCN1C=NC(=N1)N |
| InChIKey | IBUMUBQOWFBTFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,4-Triazol-3-amine, 1-ethyl- (CAS 314035-95-5), with molecular formula C4H8N4 and molecular weight 112.07 g/mol. IUPAC: 1-ethyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 1H-1,2,4-Triazol-3-amine, 1-ethyl-
Property Insights of 1H-1,2,4-Triazol-3-amine, 1-ethyl-
The XLogP value of -0.7 indicates that 1H-1,2,4-Triazol-3-amine, 1-ethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.7 Ų, 1H-1,2,4-Triazol-3-amine, 1-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazol-3-amine, 1-ethyl- 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 1H-1,2,4-Triazol-3-amine, 1-ethyl-?
The CAS number of 1H-1,2,4-Triazol-3-amine, 1-ethyl- is 314035-95-5.
What is the molecular formula of 1H-1,2,4-Triazol-3-amine, 1-ethyl-?
The molecular formula of 1H-1,2,4-Triazol-3-amine, 1-ethyl- is C4H8N4.
What is the molecular weight of 1H-1,2,4-Triazol-3-amine, 1-ethyl-?
The molecular weight of 1H-1,2,4-Triazol-3-amine, 1-ethyl- is 112.07 g/mol.
Where can I buy 1H-1,2,4-Triazol-3-amine, 1-ethyl-?
You can request a quote for 1H-1,2,4-Triazol-3-amine, 1-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazol-3-amine, 1-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazol-3-amine, 1-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.