89779-36-2
2,3,6,7-TETRAHYDRO-3,6-DIOXO-1H-PYRAZOLO[3,4-B]PYRAZINE-5-CARBONITRILE
Name2,3,6,7-TETRAHYDRO-3,6-DIOXO-1H-PYRAZOLO[3,4-B]PYRAZINE-5-CARBONITRILE
1Identification
【Name】
2,3,6,7-TETRAHYDRO-3,6-DIOXO-1H-PYRAZOLO[3,4-B]PYRAZINE-5-CARBONITRILE
【CAS】
【MDL】
MFCD15144458
【English Synonyms】
【Formula】
C6 H3 N5 O2
【MolWeight】
177.123
【Inchi】
InChI=1S/C6H3N5O2/c7-1-2-5(12)9-4-3(8-2)6(13)11-10-4/h(H3,9,10,11,12,13)
【InChIKey】
InChIKey=LYKAESSPQRMMJG-UHFFFAOYSA-N
【SMILES】
C(#N)c1c(=O)[nH]c2c(n1)c(=O)[nH][nH]2
【MOL File】
2,3,6,7-TETRAHYDRO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,6,7-TETRAHYDRO-3,6-DIOXO-1H-PYRAZOLO[3,4-B]PYRAZINE-5-CARBONITRILE.cml