477710-59-1
5-[1-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL]-1H-PYRAZOLE-4-CARBONITRILE
Name5-[1-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL]-1H-PYRAZOLE-4-CARBONITRILE
1Identification
【Name】
5-[1-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL]-1H-PYRAZOLE-4-CARBONITRILE
【CAS】
【MDL】
MFCD00202125
【English Synonyms】
【Formula】
C9 H10 N6
【MolWeight】
202.22
【Inchi】
InChI=1S/C9H10N6/c1-9(2,15-6-11-5-13-15)8-7(3-10)4-12-14-8/h4-6H,1-2H3,(H,12,14)
【InChIKey】
InChIKey=ZFMWTNYPQRJGBK-UHFFFAOYSA-N
【SMILES】
CC(C)(c1c(cn[nH]1)C#N)n2cncn2
【MOL File】
5-[1-METHYL-1-(1H-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[1-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL]-1H-PYRAZOLE-4-CARBONITRILE.cml