528610-16-4
5-[(DIMETHYLAMINO)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBONITRILE
Name5-[(DIMETHYLAMINO)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBONITRILE
1Identification
【Name】
5-[(DIMETHYLAMINO)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBONITRILE
【CAS】
【MDL】
MFCD18806959
【English Synonyms】
【Formula】
C6 H9 N5
【MolWeight】
151.172
【Inchi】
InChI=1S/C6H9N5/c1-11(2)4-6-5(3-7)8-10-9-6/h4H2,1-2H3,(H,8,9,10)
【InChIKey】
InChIKey=LYRRHUMCJDFCCF-UHFFFAOYSA-N
【SMILES】
CN(C)Cc1c(nn[nH]1)C#N
【MOL File】
5-[(DIMETHYLAMINO)ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(DIMETHYLAMINO)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBONITRILE.cml