Chem
J-GLOBAL ID：200907055557552633   Nikkaji number：J1.701.946E

1,5-Dimethyl-3-(4-cyanophenyl)-1,2-dihydro-1,2,4,5-tetrazine-6(5H)-one

1,5-ジメチル-3-(4-シアノフェニル)-1,2-ジヒドロ-1,2,4,5-テトラジン-6(5H)-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H11N5O
Molecular formula furigana： C11-H11-N5-O
Molecular weight： 229.243
InChI： InChI=1S/C11H11N5O/c1-15-11(17)16(2)14-10(13-15)9-5-3-8(7-12)4-6-9/h3-6H,1-2H3,(H,13,14)
InChI key： LWFDIGVKJGVQDJ-UHFFFAOYSA-N
SMILES： Cn1[nH]c(nn(C)c1=O)c1ccc(cc1)C#N
Systematic name  (3)：
  • 1,5-ジメチル-3-(4-シアノフェニル)-1,2-ジヒドロ-1,2,4,5-テトラジン-6(5H)-オン
  • 4-(1,5-ジメチル-6-オキソ-1,2,5,6-テトラヒドロ-1,2,4,5-テトラジン-3-イル)ベンゾニトリル
  • 4-(1,5-dimethyl-6-oxo-1,2,5,6-tetrahydro-1,2,4,5-tetrazin-3-yl)benzonitrile
Other name (1)：
  • 1,5-Dimethyl-3-(4-cyanophenyl)-1,2-dihydro-1,2,4,5-tetrazine-6(5H)-one
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