54814-49-2
4-AMINO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE-3-CARBOXYLIC ACID
Name4-AMINO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
4-AMINO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD18632917
【English Synonyms】
【Formula】
C7 H7 N5 O2
【MolWeight】
193.165
【Inchi】
InChI=1S/C7H7N5O2/c1-12-6-3(4(11-12)7(13)14)5(8)9-2-10-6/h2H,1H3,(H,13,14)(H2,8,9,10)
【InChIKey】
InChIKey=KROIUJWIWLRCEK-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(n1)C(=O)O)c(ncn2)N
【MOL File】
4-AMINO-1-METHYL-1H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-AMINO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE-3-CARBOXYLIC ACID.cml