| Formula |
C21H15N5O4 |
| IUPAC Name |
2-(3-cyanophenyl)-1,3,7-trioxo-n-(phenylmethyl)-8h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide |
| Molecular Mass |
401.375 g·mol−1 |
| Heat of Formation |
-65.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.28 ± 1.08 D |
| Volume |
448.58 Å 3 |
| Surface Area |
364.45 Å 2 |
| HOMO Energy |
-9.69 ± 0.55 eV |
| LUMO Energy |
-1.43 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- n-(benzyl)-2-(3-cyanophenyl)-1,3,7-triketo-8h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
|
| InChIKey |
UPQJVNPKWQFAKQ-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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