3-[(4-chlorophenyl)methyl]-3H,4H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
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Product Code | F768533 |
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Product Name | 3-[(4-chlorophenyl)methyl]-3H,4H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
Other Names | 3-(4-Chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
CAS | 132269-53-5 |
Purity | 98% |
Molecular weight | 261.67 |
IUPAC Name | 3-[(4-chlorophenyl)methyl]-3H,4H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
SMILES | ClC1=CC=C(CN2N=NC3=C2NC=NC3=O)C=C1 |
INCHI Code | InChI=1S/C11H8ClN5O/c12-8-3-1-7(2-4-8)5-17-10-9(15-16-17)11(18)14-6-13-10/h1-4,6H,5H2,(H,13,14,18) |
Asymmetric atoms | 0 |
LogP | 2.092996 |
H bond acceptors | 5 |
H bond donors | 1 |
fsp3 | 0.09090909 |
Concept Codes | Phenyl, Heterocycle, Heteroaromatic, Chloro, Halo, 5-Membered heteroaromatic, 5-Membered heterocycle, 6-Membered heteroaromatic, 6-Membered heterocycle, Monochlorobenzene, Monosubstituted (para) monochlorobenzene, Cyclic, Aromatic |