23951-57-7
DIMETHYL 1-(4,6-DIMETHYL-2-PYRIMIDINYL)-1H-1,2,3-TRIAZOLE-4,5-DICARBOXYLATE
NameDIMETHYL 1-(4,6-DIMETHYL-2-PYRIMIDINYL)-1H-1,2,3-TRIAZOLE-4,5-DICARBOXYLATE
1Identification
【Name】
DIMETHYL 1-(4,6-DIMETHYL-2-PYRIMIDINYL)-1H-1,2,3-TRIAZOLE-4,5-DICARBOXYLATE
【CAS】
【MDL】
MFCD00995003
【English Synonyms】
【Formula】
C12 H13 N5 O4
【MolWeight】
291.266
【Inchi】
InChI=1S/C12H13N5O4/c1-6-5-7(2)14-12(13-6)17-9(11(19)21-4)8(15-16-17)10(18)20-3/h5H,1-4H3
【InChIKey】
InChIKey=AQZRVEIQCNDSPC-UHFFFAOYSA-N
【SMILES】
Cc1cc(nc(n1)n2c(c(nn2)C(=O)OC)C(=O)OC)C
【MOL File】
DIMETHYL 1-(4,6-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIMETHYL 1-(4,6-DIMETHYL-2-PYRIMIDINYL)-1H-1,2,3-TRIAZOLE-4,5-DICARBOXYLATE.cml