851116-20-6
2-(5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)ACETIC ACID
Name2-(5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)ACETIC ACID
1Identification
【Name】
2-(5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)ACETIC ACID
【CAS】
【MDL】
MFCD06655805
【English Synonyms】
【Formula】
C9 H10 N4 O2
【MolWeight】
206.204
【Inchi】
InChI=1S/C9H10N4O2/c1-5-7(3-8(14)15)6(2)13-9(12-5)10-4-11-13/h4H,3H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=OXMKLBYGIXUDJP-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n2c(n1)ncn2)C)CC(=O)O
【MOL File】
2-(5,7-DIMETHYL-[1,2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)ACETIC ACID.cml