HIT ID: HIT212062852
Cas No: 1056039-83-8
分子式: C13H18BN5O2
分子量: 287.13
常用名: 2-(2-Methyl-2H-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
常用名: 2-(2-Methyl-2H-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 3.5744
IUPAC: 2-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 2-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES: Cn1nnc(n1)-c1ccc(cn1)B1OC(C)(C)C(C)(C)O1
SMILES: Cn1nnc(n1)-c1ccc(cn1)B1OC(C)(C)C(C)(C)O1
InChI key: VOEFRGFXMMXFGK-UHFFFAOYSA-N
