400077-62-5
1-(3-(1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL)-1H-PYRAZOL-1-YL)-1-ETHANONE
Name1-(3-(1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL)-1H-PYRAZOL-1-YL)-1-ETHANONE
1Identification
【Name】
1-(3-(1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL)-1H-PYRAZOL-1-YL)-1-ETHANONE
【CAS】
【MDL】
MFCD00215684
【English Synonyms】
【Formula】
C9 H11 N5 O
【MolWeight】
205.22
【Inchi】
InChI=1S/C9H11N5O/c1-7(14-6-10-5-11-14)9-3-4-13(12-9)8(2)15/h3-7H,1-2H3
【InChIKey】
InChIKey=ZWJVFXVCGWQRCX-UHFFFAOYSA-N
【SMILES】
CC(c1ccn(n1)C(=O)C)n2cncn2
【MOL File】
1-(3-(1-(1H-1,2,4-TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-(1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL)-1H-PYRAZOL-1-YL)-1-ETHANONE.cml