![4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile structure](/static/products/1024/1024746-20-0.webp)
4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile
TL;DR: 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile (CAS 1024746-20-0) is a chemical compound with molecular formula C10H13N5O and molecular weight 219.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylidene]pentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-(5H-2,3,5-TRIAZOLYLAMINO)PROP-2-ENENITRILE, 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylidene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[(2H-1,2,4-triazol-3-ylamino)methylidene]pentanenitrile, 4,4-dimethyl-3-oxo-2-{[(4H-1,2,4-triazol-3-yl)amino]methylidene}pentanenitrile
| Molecular Formula | C10H13N5O |
|---|---|
| Molecular Weight | 219.11 g/mol |
| LogP | 1.23928 |
| Topological Polar Surface Area | 94.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.11201 |
| Heavy Atoms | 16 |
| Complexity | 432.7647 |
Chemical Identifiers
| CAS Number | 1024746-20-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CNC1=NC=NN1)C#N |
Product Overview
4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile (CAS 1024746-20-0), with molecular formula C10H13N5O and molecular weight 219.11 g/mol. IUPAC: 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylidene]pentanenitrile.
Chemical Property Profile of 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile
Property Insights of 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile
The XLogP value of 1.23928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile. The TPSA of 94.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile. Following Lipinski's Rule of Five, 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile has 2 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-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile?
The CAS number of 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile is 1024746-20-0.
What is the molecular formula of 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile?
The molecular formula of 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile is C10H13N5O.
What is the molecular weight of 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile?
The molecular weight of 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile is 219.11 g/mol.
Where can I buy 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile?
You can request a quote for 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)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-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-dimethyl-3-oxo-2-[(1H-1,2,4-triazol-5-ylamino)methylene]pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.