860784-44-7
ETHYL 1-(4,6-DIMETHYL-2-PYRIMIDINYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
NameETHYL 1-(4,6-DIMETHYL-2-PYRIMIDINYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
1Identification
【Name】
ETHYL 1-(4,6-DIMETHYL-2-PYRIMIDINYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD05975036
【English Synonyms】
【Formula】
C11 H13 N5 O2
【MolWeight】
247.257
【Inchi】
InChI=1S/C11H13N5O2/c1-4-18-10(17)9-6-16(15-14-9)11-12-7(2)5-8(3)13-11/h5-6H,4H2,1-3H3
【InChIKey】
InChIKey=QFBPHAZGSSQKOU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cn(nn1)c2nc(cc(n2)C)C
【MOL File】
ETHYL 1-(4,6-DIMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 1-(4,6-DIMETHYL-2-PYRIMIDINYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE.cml