4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 4194-37-0) is a chemical compound with molecular formula C3H6N4O and molecular weight 114.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-methyl-1H-1,2,4-triazol-5-one
Also Known As: 4-amino-3-methyl-1H-1,2,4-triazol-5-one, 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-amino-5-methyl-1,2,4-triazol-3-one, J1.531.680B, 4-amino-3-methyl-1,2,4-triazol-5(4H)-one
| Molecular Formula | C3H6N4O |
|---|---|
| Molecular Weight | 114.05 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.05416 |
| Heavy Atoms | 8 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 4194-37-0 |
|---|---|
| SMILES | CC1=NNC(=O)N1N |
| InChIKey | RSHSEEWONPESSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 4194-37-0), with molecular formula C3H6N4O and molecular weight 114.05 g/mol. IUPAC: 4-amino-3-methyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of -1.4 indicates that 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one 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 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 4194-37-0.
What is the molecular formula of 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is C3H6N4O.
What is the molecular weight of 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 114.05 g/mol.
Where can I buy 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.