![4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile structure](/static/products/1025/1025281-25-7.webp)
4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile
TL;DR: 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile (CAS 1025281-25-7) is a chemical compound with molecular formula C16H17N5O and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylidene]pentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(1,2,4-TRIAZOLYL)PHENYL)AMINO)PROP-2-ENENITRILE, 4,4-dimethyl-3-oxo-2-[[[4-(1,2,4-triazol-1-yl)phenyl]amino]methylidene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylidene]pentanenitrile
| Molecular Formula | C16H17N5O |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 2.70188 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1433 |
| Heavy Atoms | 22 |
| Complexity | 715.3869 |
Chemical Identifiers
| CAS Number | 1025281-25-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CNC1=CC=C(C=C1)N2C=NC=N2)C#N |
Product Overview
4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile (CAS 1025281-25-7), with molecular formula C16H17N5O and molecular weight 295.14 g/mol. IUPAC: 4,4-dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylidene]pentanenitrile.
Chemical Property Profile of 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile
Property Insights of 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile
The XLogP value of 2.70188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile 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
Frequently Asked Questions
What is the CAS number of 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile?
The CAS number of 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile is 1025281-25-7.
What is the molecular formula of 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile?
The molecular formula of 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile is C16H17N5O.
What is the molecular weight of 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile?
The molecular weight of 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile is 295.14 g/mol.
Where can I buy 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile?
You can request a quote for 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-3-oxo-2-[[4-(1,2,4-triazol-1-yl)anilino]methylene]pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.