3-Amino-5-methyl-4H-1,2,4-triazole
TL;DR: 3-Amino-5-methyl-4H-1,2,4-triazole (CAS 7400-03-5) is a chemical compound with molecular formula C3H6N4 and molecular weight 98.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1H-1,2,4-triazol-3-amine
Also Known As: 5-methyl-4H-1,2,4-triazol-3-amine, 5-methyl-1H-1,2,4-triazol-3-amine, 3-methyl-1H-1,2,4-triazol-5-amine, 3-Amino-5-methyl-4H-1,2,4-triazole, 3-Amino-5-methyl-1,2,4-triazole
| Molecular Formula | C3H6N4 |
|---|---|
| Molecular Weight | 98.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.05925 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 7400-03-5 |
|---|---|
| SMILES | CC1=NC(=NN1)N |
| InChIKey | FJRZOOICEHBAED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-5-methyl-4H-1,2,4-triazole (CAS 7400-03-5), with molecular formula C3H6N4 and molecular weight 98.06 g/mol. IUPAC: 5-methyl-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-Amino-5-methyl-4H-1,2,4-triazole
Property Insights of 3-Amino-5-methyl-4H-1,2,4-triazole
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-methyl-4H-1,2,4-triazole. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5-methyl-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-Amino-5-methyl-4H-1,2,4-triazole 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-Amino-5-methyl-4H-1,2,4-triazole?
The CAS number of 3-Amino-5-methyl-4H-1,2,4-triazole is 7400-03-5.
What is the molecular formula of 3-Amino-5-methyl-4H-1,2,4-triazole?
The molecular formula of 3-Amino-5-methyl-4H-1,2,4-triazole is C3H6N4.
What is the molecular weight of 3-Amino-5-methyl-4H-1,2,4-triazole?
The molecular weight of 3-Amino-5-methyl-4H-1,2,4-triazole is 98.06 g/mol.
Where can I buy 3-Amino-5-methyl-4H-1,2,4-triazole?
You can request a quote for 3-Amino-5-methyl-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-methyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-methyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.