Synthesis of novel [1,2,4]triazolo[1,5-b][1,2,4,5]tetrazines and investigation of their fungistatic activity

Anna V. Korotina, Svetlana G. Tolshchina, Rashida I. Ishmetova, Natalya P. Evstigneeva, Natalya A. Gerasimova, Natalya V. Zilberberg, Nikolay V. Kungurov, Gennady L. Rusinov, Oleg N. Chupakhin and Valery N. Charushin

Beilstein J. Org. Chem. 2022, 18, 243–250. https://doi.org/10.3762/bjoc.18.29

Back To Structures

Chemical structure C<sub>12</sub>H<sub>14</sub>N<sub>8</sub>

Downloads

Download Molfile Download CDXML

Links

Extracted from

Scheme 2

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₄N₈
Molecular Weight	270.29 g/mol
Exact Mass	270.1342 Da
InChI	InChI=1S/C12H14N8/c1-7-5-9(3)19(17-7)11-13-15-12(16-14-11)20-10(4)6-8(2)18-20/h5-6H,1-4H3
InChIKey	FPKOARNUITZHCF-UHFFFAOYSA-N
SMILES	CC1=NN(C(=C1)C)C2=NN=C(N=N2)N3C(=CC(=N3)C)C
Number of Atoms	34
Number of H-Bond Acceptors	8
Number of H-Bond Donors	0
Atoms in the Largest π-System	16
XLogP	3.0

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)