3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one
TL;DR: 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one (CAS 82090-44-6) 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.
3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one
Also Known As: 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one, NCI60_026362, 3-Methyl-4-(methylamino)-1H-1,2,4-triazol-5(4H)-one, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-(methylamino)-, 3H-1,2,4-Triazol-3-one,2,4-dihydro-5-methyl-4-(methylamino)
| Molecular Formula | C4H8N4O |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.06981 |
| Heavy Atoms | 9 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 82090-44-6 |
|---|---|
| SMILES | CC1=NNC(=O)N1NC |
| InChIKey | HHGZVVVYIXJBFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one (CAS 82090-44-6), with molecular formula C4H8N4O and molecular weight 128.07 g/mol. IUPAC: 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one
Property Insights of 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one
The XLogP value of -0.9 indicates that 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one 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, 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-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 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one?
The CAS number of 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one is 82090-44-6.
What is the molecular formula of 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one?
The molecular formula of 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one is C4H8N4O.
What is the molecular weight of 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one?
The molecular weight of 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one is 128.07 g/mol.
Where can I buy 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one?
You can request a quote for 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.