79442-88-9
2,3-DIHYDRO-3-METHYL-PYRROLO[1,2-D][1,2,4]TRIAZINE-1,4-DIONE
Name2,3-DIHYDRO-3-METHYL-PYRROLO[1,2-D][1,2,4]TRIAZINE-1,4-DIONE
1Identification
【Name】
2,3-DIHYDRO-3-METHYL-PYRROLO[1,2-D][1,2,4]TRIAZINE-1,4-DIONE
【CAS】
【MDL】
MFCD13178447
【English Synonyms】
【Formula】
C7 H7 N3 O2
【MolWeight】
165.151
【Inchi】
InChI=1S/C7H7N3O2/c1-9-7(12)10-4-2-3-5(10)6(11)8-9/h2-4H,1H3,(H,8,11)
【InChIKey】
InChIKey=ZJQJFTISLIDVQL-UHFFFAOYSA-N
【SMILES】
Cn1c(=O)n2cccc2c(=O)[nH]1
【MOL File】
2,3-DIHYDRO-3-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3-DIHYDRO-3-METHYL-PYRROLO[1,2-D][1,2,4]TRIAZINE-1,4-DIONE.cml