chempirical

Dacarbazine

C6H10N6OCAS 4342-03-4182.19 g/mol

Open in Covalent MOL file
NNNHNNH2NO
AmideTertiary amine

Properties

Molecular formula
C6H10N6O
Molar mass
182.19 g/mol
Exact mass
182.0916 Da
Melting point
205 °C
logP
0.07Crippen estimate
Polar surface area
99.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
4342-03-4
SMILES
CN(C)N=Nc1[nH]cnc1C(N)=O
InChIKey
FDKXTQMXEQVLRF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

28 names · show all
  • 5-(3,3-Dimethyl-1-triazenyl)imidazole-4-carboxamide
  • 1H-Imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazen-1-yl)-
  • Imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazeno)-
  • 1H-Imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazenyl)-
  • Imidazole-4(or 5)-carboxamide, 5(or 4)-(3,3-dimethyl-1-triazeno)-
  • 5-(3,3-Dimethyl-1-triazen-1-yl)-1H-imidazole-4-carboxamide
  • 4-(Dimethyltriazeno)imidazole-5-carboxamide
  • 5-(3,3-Dimethyl-1-triazeno)imidazole-4-carboxamide
  • 5-(Dimethyltriazeno)imidazole-4-carboxamide
  • 5(Or 4)-(3,3-Dimethyl-1-triazeno)imidazole-4(or 5)carboxamide
  • 5(4)-(3,3-Dimethyl-1-triazeno)imidazole-4(5)-carboxamide
  • 4(Or 5)-(3,3-Dimethyl-1-triazeno)imidazole-5(or 4)-carboxamide
  • 5-(3,3-Dimethyltriazeno)imidazole-4-carboxamide
  • NSC 45388
  • 5-(3,3-Dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide
  • (Dimethyltriazeno)imidazolecarboxamide
  • DTIC
  • Biocarbazine R
  • Deticene
  • 5-(3,3′-Dimethyl-1-triazeno)imidazole-4-carboxamide
  • Dacarbasine
  • DTIE
  • DTIC-Dome
  • NCI C04717
  • ICDT
  • ICDMT
  • DIC
  • Detimedac

Work with Dacarbazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Hydroxy-1H-imidazole-4-carboxamide56973-26-348 % similar 4,5-Dimethyl 1H-imidazole-4,5-dicarboxylate3304-70-930 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook