3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile
TL;DR: 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile (CAS 1020252-60-1) is a chemical compound with molecular formula C10H8N6 and molecular weight 212.08104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-anilino-2-(2H-tetrazol-5-yl)prop-2-enenitrile
Also Known As: 3-anilino-2-(2H-tetrazol-5-yl)prop-2-enenitrile, 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile, 3-Anilino-2-(1H-tetrazol-5-yl)prop-2-enenitrile, ?-[(Phenylamino)methylene]-2H-tetrazole-5-acetonitrile, 2-(2H-2,3,4,5-TETRAAZOLYL)-3-(PHENYLAMINO)PROP-2-ENENITRILE
Technical Specifications
| Molecular Formula | C10H8N6 |
| Molecular Weight | 212.08104 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.08104 Da |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
| SMILES | C1=CC=C(C=C1)NC=C(C#N)C2=NNN=N2 |
| InChIKey | SOXCTISAYHQOEE-UHFFFAOYSA-N |
Chemical Property Profile of 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile
Property Insights of 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile 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
What is the CAS number of 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile?
The CAS number of 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile is 1020252-60-1.
What is the molecular formula of 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile?
The molecular formula of 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile is C10H8N6.
What is the molecular weight of 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile?
The molecular weight of 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile is 212.08104 g/mol.
Where can I buy 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile?
You can request a quote for 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(phenylamino)-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.