916212-21-0
5-METHYL-[1,2,4]TRIAZOLO[4,3-A]PYRIMIDINE-7-CARBOXYLIC ACID
Name5-METHYL-[1,2,4]TRIAZOLO[4,3-A]PYRIMIDINE-7-CARBOXYLIC ACID
1Identification
【Name】
5-METHYL-[1,2,4]TRIAZOLO[4,3-A]PYRIMIDINE-7-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD23098374
【English Synonyms】
【Formula】
C7 H6 N4 O2
【MolWeight】
178.15
【Inchi】
InChI=1S/C7H6N4O2/c1-4-2-5(6(12)13)9-7-10-8-3-11(4)7/h2-3H,1H3,(H,12,13)
【InChIKey】
InChIKey=NAFHPMYIHVFECX-UHFFFAOYSA-N
【SMILES】
Cc1cc(nc2n1cnn2)C(=O)O
【MOL File】
5-METHYL-[1,2,4]TRIA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-[1,2,4]TRIAZOLO[4,3-A]PYRIMIDINE-7-CARBOXYLIC ACID.cml