(4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide
TL;DR: (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide (CAS 6953-01-1) is a chemical compound with molecular formula C11H13N7O and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[benzyl(methyl)amino]diazenyl]-2H-triazole-4-carboxamide
Also Known As: 5-[[benzyl(methyl)amino]hydrazinylidene]triazole-4-carboxamide, (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide
| Molecular Formula | C11H13N7O |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.11816 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 6953-01-1 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)N=NC2=NNN=C2C(=O)N |
| InChIKey | BQDOBOFFTKWCHQ-UHFFFAOYSA-N |
Product Overview
(4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide (CAS 6953-01-1), with molecular formula C11H13N7O and molecular weight 259.12 g/mol. IUPAC: 5-[[benzyl(methyl)amino]diazenyl]-2H-triazole-4-carboxamide.
Chemical Property Profile of (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide
Property Insights of (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide. Following Lipinski's Rule of Five, (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide has 2 hydrogen bond donor(s) and 6 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 (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide?
The CAS number of (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide is 6953-01-1.
What is the molecular formula of (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide?
The molecular formula of (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide is C11H13N7O.
What is the molecular weight of (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide?
The molecular weight of (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide is 259.12 g/mol.
Where can I buy (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide?
You can request a quote for (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-4-(3-Benzyl-3-methyltriazan-1-ylidene)-4H-1,2,3-triazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.