![2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile structure](/static/products/1023/1023541-22-1.webp)
2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile
TL;DR: 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile (CAS 1023541-22-1) is a chemical compound with molecular formula C12H8N6 and molecular weight 236.08104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(1,2,4-triazol-1-yl)anilino]methylidene]propanedinitrile
Also Known As: (((4-(1,2,4-TRIAZOLYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[[4-(1,2,4-triazol-1-yl)anilino]methylidene]propanedinitrile, 2-({[4-(1H-1,2,4-triazol-1-yl)phenyl]amino}methylidene)propanedinitrile, 2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]propanedinitrile, 2-[[[4-(1,2,4-triazol-1-yl)phenyl]amino]methylidene]propanedinitrile
Technical Specifications
| Molecular Formula | C12H8N6 |
| Molecular Weight | 236.08104 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.08104 Da |
| Heavy Atoms | 18 |
| Complexity | 385.0 |
| SMILES | C1=CC(=CC=C1NC=C(C#N)C#N)N2C=NC=N2 |
| InChIKey | BZUXSYCVLPOZDK-UHFFFAOYSA-N |
Chemical Property Profile of 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile
Property Insights of 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile 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 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile?
The CAS number of 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile is 1023541-22-1.
What is the molecular formula of 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile?
The molecular formula of 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile is C12H8N6.
What is the molecular weight of 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile?
The molecular weight of 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile is 236.08104 g/mol.
Where can I buy 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile?
You can request a quote for 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[[4-(1,2,4-Triazol-1-yl)anilino]methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.