Formula |
C18H18F3N5 |
IUPAC Name |
n-cyclohexyl-9-[3-(trifluoromethyl)phenyl]-2,7-diaza-1-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraen-3-amine |
Molecular Mass |
361.364 g·mol−1 |
Heat of Formation |
-226.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.72 ± 1.08 D |
Volume |
406.36 Å 3 |
Surface Area |
352.4 Å 2 |
HOMO Energy |
-9.12 ± 0.55 eV |
LUMO Energy |
1.81 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]amine
- n-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridazin-6-amine
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InChIKey |
XYYDXQCAYXOGQT-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
F
N
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