![3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile structure](/static/products/1164/1164485-96-4.webp)
3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile
TL;DR: 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile (CAS 1164485-96-4) is a chemical compound with molecular formula C14H11N7 and molecular weight 277.1076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile
Also Known As: 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile, 3-phenyl-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]acrylonitrile
Technical Specifications
| Molecular Formula | C14H11N7 |
| Molecular Weight | 277.1076 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 96.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.1076 Da |
| Heavy Atoms | 21 |
| Complexity | 420.0 |
| SMILES | C1=CC=C(C=C1)C=C(C#N)C2=NNC(=N2)CN3C=NC=N3 |
| InChIKey | BLJJDDGVJXWCGE-UHFFFAOYSA-N |
Chemical Property Profile of 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile
Property Insights of 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile?
The CAS number of 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile is 1164485-96-4.
What is the molecular formula of 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile?
The molecular formula of 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile is C14H11N7.
What is the molecular weight of 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile?
The molecular weight of 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile is 277.1076 g/mol.
Where can I buy 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile?
You can request a quote for 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-phenyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.