2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]thio}acetohydrazide
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Product Code | F026731 |
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Product Name | 2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]thio}acetohydrazide |
Other Names | 2-((5-(1,5-Dimethyl-1h-pyrazol-3-yl)-4-isobutyl-4h-1,2,4-triazol-3-yl)thio)acetohydrazide |
CAS | 1002032-59-8 |
Molecular weight | 323.42 |
IUPAC Name | 2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
SMILES | CC(C)CN1C(SCC(=O)NN)=NN=C1C1=NN(C)C(C)=C1 |
INCHI Code | InChI=1S/C13H21N7OS/c1-8(2)6-20-12(10-5-9(3)19(4)18-10)16-17-13(20)22-7-11(21)15-14/h5,8H,6-7,14H2,1-4H3,(H,15,21) |
Asymmetric atoms | 0 |
LogP | 0.7760436 |
H bond acceptors | 5 |
H bond donors | 2 |
fsp3 | 0.53846157 |
Concept Codes | Heterocycle, Heteroaromatic, Sulfide, Methyl, N-methyl, Hydrazide, 5-Membered heteroaromatic, 5-Membered heterocycle, Pyrazole, Cyclic, Aromatic, 1,2,4-Triazole |