Formula |
C11H15N5OS |
IUPAC Name |
2-ethyl-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-1,4-diium-5-one |
Molecular Mass |
265.335 g·mol−1 |
Heat of Formation |
113.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.01 ± 1.08 D |
Volume |
301.42 Å 3 |
Surface Area |
277.49 Å 2 |
HOMO Energy |
-8.82 ± 0.55 eV |
LUMO Energy |
-1.68 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-ethyl-7-(1-piperazinyl)-[1,3,4]thiadiazolo[2,3-b]pyrimidin-5-one
- chemdiv2_004753
|
InChIKey |
WUYNDJNASMITGA-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
S
O
N
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