851116-09-1
3-(2,5,7-TRIMETHYL-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL)-PROPIONIC ACID
Name3-(2,5,7-TRIMETHYL-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL)-PROPIONIC ACID
1Identification
【Name】
3-(2,5,7-TRIMETHYL-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL)-PROPIONIC ACID
【CAS】
【MDL】
MFCD06655785
【English Synonyms】
【Formula】
C12 H15 N3 O2
【MolWeight】
233.27
【Inchi】
InChI=1S/C12H15N3O2/c1-7-6-11-13-8(2)10(4-5-12(16)17)9(3)15(11)14-7/h6H,4-5H2,1-3H3,(H,16,17)
【InChIKey】
InChIKey=AHYIJUKMQAHZNZ-UHFFFAOYSA-N
【SMILES】
Cc1cc2nc(c(c(n2n1)C)CCC(=O)O)C
【MOL File】
3-(2,5,7-TRIMETHYL-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2,5,7-TRIMETHYL-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL)-PROPIONIC ACID.cml