3-(2-Chloroethyl)-N-Methyl-4-Oxo-3,4-Dihydroimidazo[5,1-D][1,2,3,5]Tetrazine-8-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C8H9ClN6O2
IUPAC Name 3-(2-chloroethyl)-n-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Molecular Mass 256.649 g·mol−1
Heat of Formation 5.3 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 270.15 Å 3
Surface Area 258.0 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-chloroethyl)-4-keto-n-methyl-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • 3-(2-chloroethyl)-n-methyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxamide
  • 3-(2-chloroethyl)-n-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • 8-(n-methyl)mitozolomide
  • 8-nmm
  • imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-n-methyl-4-oxo-
CAS Number(s)
  • 85622-96-4
InChIKey ZIBAAYKCNSFPRL-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl