2-{3-[4-(2-Methylphenyl)-3,6-Dihydro-1(2H)-Pyridinyl]Propyl}[1,2,4]Triazolo[4,3-A]Pyridin-3(2H)-One
Properties
Property | Value |
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Formula | C21H24N4O |
IUPAC Name | 2-[3-[(1r)-4-(o-tolyl)-3,6-dihydro-2h-pyridin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one |
Molecular Mass | 348.441 g·mol−1 |
Heat of Formation | 215.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.29 ± 1.08 D |
Volume | 435.24 Å 3 |
Surface Area | 373.77 Å 2 |
HOMO Energy | -8.63 ± 0.55 eV |
LUMO Energy | 2.19 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | CBGKILSZODNVIP-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |