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

Technical Data

Patents

Computed Properties

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 °C 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

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Related Functional Groups

Triazole/Tetrazole

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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