![(4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile structure](/static/products/3280/328029-73-8.webp)
(4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile
TL;DR: (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile (CAS 328029-73-8) is a chemical compound with molecular formula C11H15N5O and molecular weight 233.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-morpholin-4-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)acetonitrile
Also Known As: (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile, 2-[5-(morpholin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]acetonitrile, AB00423516-05, 2-(5-morpholin-4-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)acetonitrile
| Molecular Formula | C11H15N5O |
|---|---|
| Molecular Weight | 233.13 g/mol |
| LogP | 0.36678 |
| Topological Polar Surface Area | 66.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.12766 |
| Heavy Atoms | 17 |
| Complexity | 427.56046 |
Chemical Identifiers
| CAS Number | 328029-73-8 |
|---|---|
| SMILES | C=CCN1C(=NN=C1N2CCOCC2)CC#N |
Product Overview
(4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile (CAS 328029-73-8), with molecular formula C11H15N5O and molecular weight 233.13 g/mol. IUPAC: 2-(5-morpholin-4-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)acetonitrile.
Chemical Property Profile of (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile
Property Insights of (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile
The XLogP value of 0.36678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile. The TPSA of 66.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile. Following Lipinski's Rule of Five, (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile 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
Frequently Asked Questions
What is the CAS number of (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile?
The CAS number of (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile is 328029-73-8.
What is the molecular formula of (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile?
The molecular formula of (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile is C11H15N5O.
What is the molecular weight of (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile?
The molecular weight of (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile is 233.13 g/mol.
Where can I buy (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile?
You can request a quote for (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Allyl-5-morpholin-4-yl-4H-[1,2,4]triazol-3-yl)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.