Temozolomide

C6H6N6O2CAS 85622-93-1194.15 g/mol

NNNNH2ONNO
Amide

Properties

Molecular formula
C6H6N6O2
Molar mass
194.15 g/mol
Exact mass
194.0552 Da
Melting point
212 °C (decomposes)
logP
-2.08Crippen estimate
Polar surface area
108.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Identifiers

CAS number
85622-93-1
SMILES
Cn1nnc2c(C(N)=O)ncn2c1=O
InChIKey
BPEGJWRSRHCHSN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)

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Names and synonyms

19 names · show all
  • Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-
  • 3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide
  • CCRG 81045
  • NSC 362856
  • M And B 39831
  • MB 39831
  • Methazolastone
  • Temodal
  • Sch 52365
  • Temodar
  • 3-Methyl-4-oxo-8-imidazolo[5,1-d][1,2,3,5]tetrazinecarboxamide
  • 8-Carbamoyl-3-methylimidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one
  • 3-Methyl-8-carbamoylimidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one
  • 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • T 2577
  • 3-Methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • 3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide
  • 3-Methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide
  • Temomedac

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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