N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide
TL;DR: N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide (CAS 368434-80-4) is a chemical compound with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,5-N-dimethyl-1-phenyltriazole-4,5-dicarboxamide
Also Known As: 4-N,5-N-dimethyl-1-phenyltriazole-4,5-dicarboxamide, N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide, N4,N5-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide
| Molecular Formula | C12H13N5O2 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.10693 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 368434-80-4 |
|---|---|
| SMILES | CNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)C(=O)NC |
| InChIKey | LPWDJGWWYNIPLL-UHFFFAOYSA-N |
Product Overview
N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide (CAS 368434-80-4), with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol. IUPAC: 4-N,5-N-dimethyl-1-phenyltriazole-4,5-dicarboxamide.
Chemical Property Profile of N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide
Property Insights of N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide. Following Lipinski's Rule of Five, N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide 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 N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide?
The CAS number of N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide is 368434-80-4.
What is the molecular formula of N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide?
The molecular formula of N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide is C12H13N5O2.
What is the molecular weight of N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide?
The molecular weight of N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide is 259.11 g/mol.
Where can I buy N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide?
You can request a quote for N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N'-dimethyl-1-phenyl-1H-1,2,3-triazole-4,5-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.