![4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile structure](/static/products/1218/121845-60-1.webp)
4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile
TL;DR: 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile (CAS 121845-60-1) is a chemical compound with molecular formula C13H7N5 and molecular weight 233.07014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-pyrido[3,4-e][1,2,4]triazin-3-ylbenzonitrile
Also Known As: 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile, 4-pyrido[3,4-e][1,2,4]triazin-3-ylbenzonitrile, 4-Pyrido(3,4-e)(1,2,4)triazin-3-yl-benzonitrile, BENZENESULFINICACIDSODIUMSALTDIHYDRATE, Benzonitrile,4-pyrido[3,4-e]-1,2,4-triazin-3-yl-
Technical Specifications
| Molecular Formula | C13H7N5 |
| Molecular Weight | 233.07014 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.07014 Da |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
| SMILES | C1=CC(=CC=C1C#N)C2=NC3=C(C=CN=C3)N=N2 |
| InChIKey | KVYRBRIPUAHYGR-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile
Property Insights of 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile has 0 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 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile?
The CAS number of 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile is 121845-60-1.
What is the molecular formula of 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile?
The molecular formula of 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile is C13H7N5.
What is the molecular weight of 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile?
The molecular weight of 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile is 233.07014 g/mol.
Where can I buy 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile?
You can request a quote for 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(Pyrido[3,4-e][1,2,4]triazin-3-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.