1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-
TL;DR: 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl- (CAS 51108-33-9) is a chemical compound with molecular formula C4H9N5 and molecular weight 127.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
Also Known As: 3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine, 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-, N3,N3-dimethyl-1H-1,2,4-triazole-3,5-diamine, N5,N5-dimethyl-1H-1,2,4-triazole-3,5-diamine, 1H-1,2,4-Triazole-3,5-diamine, N5,N5-dimethyl-
| Molecular Formula | C4H9N5 |
|---|---|
| Molecular Weight | 127.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.08579 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 51108-33-9 |
|---|---|
| SMILES | CN(C)C1=NNC(=N1)N |
| InChIKey | OVDHAUNGTBVFIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl- (CAS 51108-33-9), with molecular formula C4H9N5 and molecular weight 127.09 g/mol. IUPAC: 3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine.
Chemical Property Profile of 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-
Property Insights of 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl- has 2 hydrogen bond donor(s) and 4 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 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-?
The CAS number of 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl- is 51108-33-9.
What is the molecular formula of 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-?
The molecular formula of 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl- is C4H9N5.
What is the molecular weight of 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-?
The molecular weight of 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl- is 127.09 g/mol.
Where can I buy 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-?
You can request a quote for 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.