4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 13750-48-6) is a chemical compound with molecular formula C2H5N5O and molecular weight 115.04941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-diamino-1H-1,2,4-triazol-5-one
Also Known As: 3,4-diamino-1H-1,2,4-triazol-5-one, 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one, 3H-1,2,4-TRIAZOL-3-ONE,4,5-DIAMINO-2,4-DIHYDRO-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H5N5O |
| Molecular Weight | 115.04941 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 96.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.04941 Da |
| Heavy Atoms | 8 |
| Complexity | 151.0 |
| SMILES | C1(=NNC(=O)N1N)N |
| InChIKey | NJELIJIXLALKNE-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of -1.9 indicates that 4,5-Diamino-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 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one is 13750-48-6.
What is the molecular formula of 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one is C2H5N5O.
What is the molecular weight of 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one is 115.04941 g/mol.
Where can I buy 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, CoreyChem provides custom synthesis services for 4,5-Diamino-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.