5-[4-(tert-Butyl)phenyl]tetrazole - CAS 126393-38-2
Catalog: |
BB006583 |
Product Name: |
5-[4-(tert-Butyl)phenyl]tetrazole |
CAS: |
126393-38-2 |
Synonyms: |
5-(4-tert-butylphenyl)-2H-tetrazole; 5-(4-tert-butylphenyl)-2H-tetrazole |
IUPAC Name: | 5-(4-tert-butylphenyl)-2H-tetrazole |
Description: | 5-[4-(tert-Butyl)phenyl]tetrazole (CAS# 126393-38-2) is a useful research chemical. |
Molecular Weight: | 202.26 |
Molecular Formula: | C11H14N4 |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)C2=NNN=N2 |
InChI: | InChI=1S/C11H14N4/c1-11(2,3)9-6-4-8(5-7-9)10-12-14-15-13-10/h4-7H,1-3H3,(H,12,13,14,15) |
InChI Key: | QHSLNQKCYGFLER-UHFFFAOYSA-N |
Boiling Point: | 344.5 ℃ at 760 mmHg |
Density: | 1.127 g/cm3 |
LogP: | 2.16420 |
Publication Number | Title | Priority Date |
US-2020039989-A1 | Small molecule inhibitors of dyrk/clk and uses thereof | 20180301 |
US-2018318240-A1 | Amino-aryl-benzamide compounds and methods of use thereof | 20170505 |
US-2019062284-A1 | Small molecule inhibitors of dyrk1a and uses thereof | 20150903 |
US-10730842-B2 | Small molecule inhibitors of DYRK1A and uses thereof | 20150903 |
US-2015031668-A1 | Chroman derivatives as trpm8 inhibitors | 20130718 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.121846464 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.121846464 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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