(1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
TL;DR: (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide (CAS 1164566-06-6) is a chemical compound with molecular formula C15H16N6 and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(5-methyl-2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-ylidene]cyanamide
Also Known As: (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide, 1-((1-Phenyl-3-methyl-1,2,4-triazolyl-5)methyl)-2-cyaniminopyrrolidine, AH-262/36680020, Cyanamide, (1-((3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)-, [1-[(5-methyl-2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-ylidene]cyanamide
| Molecular Formula | C15H16N6 |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.14365 |
| Heavy Atoms | 21 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 1164566-06-6 |
|---|---|
| SMILES | CC1=NN(C(=N1)CN2CCCC2=NC#N)C3=CC=CC=C3 |
| InChIKey | RJNRCAWWBCOWIY-UHFFFAOYSA-N |
Product Overview
(1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide (CAS 1164566-06-6), with molecular formula C15H16N6 and molecular weight 280.14 g/mol. IUPAC: [1-[(5-methyl-2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-ylidene]cyanamide.
Chemical Property Profile of (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
Property Insights of (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide. Following Lipinski's Rule of Five, (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide has 0 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 (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide?
The CAS number of (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide is 1164566-06-6.
What is the molecular formula of (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide?
The molecular formula of (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide is C15H16N6.
What is the molecular weight of (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide?
The molecular weight of (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide is 280.14 g/mol.
Where can I buy (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide?
You can request a quote for (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide?
Yes, KEHONG BIO provides custom synthesis services for (1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.