857036-13-6
3H-PYRAZOL-3-ONE, 4,5-DIAMINO-1-ETHYL-1,2-DIHYDRO-2-METHYL-
Name3H-PYRAZOL-3-ONE, 4,5-DIAMINO-1-ETHYL-1,2-DIHYDRO-2-METHYL-
1Identification
【Name】
3H-PYRAZOL-3-ONE, 4,5-DIAMINO-1-ETHYL-1,2-DIHYDRO-2-METHYL-
【CAS】
【MDL】
MFCD17018080
【English Synonyms】
【Formula】
C6 H12 N4 O
【MolWeight】
156.188
【Inchi】
InChI=1S/C6H12N4O/c1-3-10-5(8)4(7)6(11)9(10)2/h3,7-8H2,1-2H3
【InChIKey】
InChIKey=DKAWKYSBDUWVDK-UHFFFAOYSA-N
【SMILES】
CCn1c(c(c(=O)n1C)N)N
【MOL File】
3H-PYRAZOL-3-ONE, 4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3H-PYRAZOL-3-ONE, 4,5-DIAMINO-1-ETHYL-1,2-DIHYDRO-2-METHYL-.cml