1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one
TL;DR: 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one (CAS 4114-16-3) is a chemical compound with molecular formula C4H8N4O and molecular weight 128.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2,5-dimethyl-1,2,4-triazol-3-one
Also Known As: 4-amino-2,5-dimethyl-1,2,4-triazol-3-one, 4-amino-2,5-dimethyl-2,4-dihydro-[1,2,4]triazol-3-one, 4-Amino-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 1,3-Dimethyl-4-amino-1H-1,2,4-triazol-5(4H)-one, 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one
| Molecular Formula | C4H8N4O |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.06981 |
| Heavy Atoms | 9 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 4114-16-3 |
|---|---|
| SMILES | CC1=NN(C(=O)N1N)C |
| InChIKey | CUTXICQZSYDUMW-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one (CAS 4114-16-3), with molecular formula C4H8N4O and molecular weight 128.07 g/mol. IUPAC: 4-amino-2,5-dimethyl-1,2,4-triazol-3-one.
Chemical Property Profile of 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one
Property Insights of 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one
The XLogP value of -1.2 indicates that 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one. Following Lipinski's Rule of Five, 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one 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 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one?
The CAS number of 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one is 4114-16-3.
What is the molecular formula of 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one?
The molecular formula of 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one is C4H8N4O.
What is the molecular weight of 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one?
The molecular weight of 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one is 128.07 g/mol.
Where can I buy 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one?
You can request a quote for 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.