478050-23-6
5-AMINO-1-(2,5-DIMETHOXYPHENYL)-1H-IMIDAZOLE-4-CARBONITRILE
Name5-AMINO-1-(2,5-DIMETHOXYPHENYL)-1H-IMIDAZOLE-4-CARBONITRILE
1Identification
【Name】
5-AMINO-1-(2,5-DIMETHOXYPHENYL)-1H-IMIDAZOLE-4-CARBONITRILE
【CAS】
【MDL】
MFCD02082519
【English Synonyms】
【Formula】
C12 H12 N4 O2
【MolWeight】
244.253
【Inchi】
InChI=1S/C12H12N4O2/c1-17-8-3-4-11(18-2)10(5-8)16-7-15-9(6-13)12(16)14/h3-5,7H,14H2,1-2H3
【InChIKey】
InChIKey=AGNNUCXSRIFXJA-UHFFFAOYSA-N
【SMILES】
COc1ccc(c(c1)n2cnc(c2N)C#N)OC
【MOL File】
5-AMINO-1-(2,5-DIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-AMINO-1-(2,5-DIMETHOXYPHENYL)-1H-IMIDAZOLE-4-CARBONITRILE.cml