N-[2-(3-Methyl-1H-1,2,4-Triazol-5-Yl)Phenyl]-1H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C15H13N7
IUPAC Name n-[2-(5-methyl-1h-1,2,4-triazol-3-yl)phenyl]-7h-pyrrolo[3,2-e]pyrimidin-4-amine
Molecular Mass 291.311 g·mol−1
Heat of Formation 516.5 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 329.99 Å 3
Surface Area 305.42 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry C1
Synonyms
  • [2-(5-methyl-1h-1,2,4-triazol-3-yl)phenyl]-(7h-pyrrolo[3,2-e]pyrimidin-4-yl)amine
InChIKey OKGCSZUKOGMZAL-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N