888490-29-7
1,2-DIHYDRO-2-METHYL-3H-PYRAZOLO[4,3-E][1,2,4]TRIAZIN-3-ONE
Name1,2-DIHYDRO-2-METHYL-3H-PYRAZOLO[4,3-E][1,2,4]TRIAZIN-3-ONE
1Identification
【Name】
1,2-DIHYDRO-2-METHYL-3H-PYRAZOLO[4,3-E][1,2,4]TRIAZIN-3-ONE
【CAS】
【MDL】
MFCD16619758
【English Synonyms】
【Formula】
C5 H5 N5 O
【MolWeight】
151.128
【Inchi】
InChI=1S/C5H5N5O/c1-10-5(11)3-4(9-10)8-7-2-6-3/h2H,1H3,(H,8,9)
【InChIKey】
InChIKey=YVZNJROLSLXJKQ-UHFFFAOYSA-N
【SMILES】
Cn1c(=O)c2c([nH]1)nncn2
【MOL File】
1,2-DIHYDRO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIHYDRO-2-METHYL-3H-PYRAZOLO[4,3-E][1,2,4]TRIAZIN-3-ONE.cml