842972-62-7
(5-METHYL-7-OXO-4,7-DIHYDRO-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)-ACETIC ACID
Name(5-METHYL-7-OXO-4,7-DIHYDRO-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)-ACETIC ACID
1Identification
【Name】
(5-METHYL-7-OXO-4,7-DIHYDRO-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD06011088
【English Synonyms】
【Formula】
C8 H8 N4 O3
【MolWeight】
208.176
【Inchi】
InChI=1S/C8H8N4O3/c1-4-5(2-6(13)14)7(15)12-8(11-4)9-3-10-12/h3H,2H2,1H3,(H,13,14)(H,9,10,11)
【InChIKey】
InChIKey=NJISAHVJJLIVTK-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)n2c([nH]1)ncn2)CC(=O)O
【MOL File】
(5-METHYL-7-OXO-4,7-….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
(5-METHYL-7-OXO-4,7-DIHYDRO-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)-ACETIC ACID.cml