Cycloaddition reactions of heterocyclic azides with 2-cyanoacetamidines as a new route to C,N-diheteroarylcarbamidines

Pavel S. Silaichev, Tetyana V. Beryozkina, Vsevolod V. Melekhin, Valeriy O. Filimonov, Andrey N. Maslivets, Vladimir G. Ilkin, Wim Dehaen and Vasiliy A. Bakulev

Beilstein J. Org. Chem. 2024, 20, 17–24. https://doi.org/10.3762/bjoc.20.3

Back To Structures

Chemical structure C<sub>7</sub>H<sub>10</sub>N<sub>4</sub>O

Downloads

Download CDXML

Links

Extracted from

Figure 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₇H₁₀N₄O
Molecular Weight	166.18 g/mol
Exact Mass	166.0855 Da
InChI	InChI=1S/C7H10N4O/c1-7(2,3)5-4-6(9-11-8)10-12-5/h4H,1-3H3
InChIKey	OCJZSLXKLVKBFS-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC(=NO1)N=[N+]=[N-]
Number of Atoms	22
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	2.1

Back To Structures

Operator	Resulting query
aromatic	the word “aromatic”
aromatic aldehyde	the word “aromatic” OR “aldehyde”
+aromatic +aldehyde	both words “aromatic” AND “aldehyde”
+aromatic -aldehyde	the word “aromatic” but NOT “aldehyde”
“aromatic aldehyde”	the exact phrase “aromatic aldehyde”
benz*	words which begin with “benz”, such as “benzene” or “benzyl”
benz*yl	words that begin with “benz” and end with “yl”, such as “benzyl” or “benzoyl”
benzyl~	words that are close to the word “benzyl”, such as “benzoyl” (i.e., fuzzy search)