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>9</sub>H<sub>10</sub>N<sub>8</sub>

Downloads

Download Molfile Download CDXML

Links

Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₁₀N₈
Molecular Weight	230.23 g/mol
Exact Mass	230.1028 Da
InChI	InChI=1S/C9H10N8/c1-5-4-6(2)16(14-5)9-13-12-8-11-10-7(3)17(8)15-9/h4H,1-3H3
InChIKey	KIYGYIMXPBKDLZ-UHFFFAOYSA-N
SMILES	CC1=NN(C(=C1)C)C2=NN3C(=NN=C3N=N2)C
Number of Atoms	27
Number of H-Bond Acceptors	8
Number of H-Bond Donors	0
Atoms in the Largest π-System	14
XLogP	2.6

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)