500691-96-3
1H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDINE-5,7(4H,6H)-DIONE, 6-ETHYL-4-PROPYL-
Name1H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDINE-5,7(4H,6H)-DIONE, 6-ETHYL-4-PROPYL-
1Identification
【Name】
1H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDINE-5,7(4H,6H)-DIONE, 6-ETHYL-4-PROPYL-
【CAS】
【MDL】
MFCD18807004
【English Synonyms】
【Formula】
C9 H13 N5 O2
【MolWeight】
223.235
【Inchi】
InChI=1S/C9H13N5O2/c1-3-5-14-7-6(10-12-11-7)8(15)13(4-2)9(14)16/h3-5H2,1-2H3,(H,10,11,12)
【InChIKey】
InChIKey=VWPAXGSNAINYOC-UHFFFAOYSA-N
【SMILES】
CCCn1c2c(c(=O)n(c1=O)CC)[nH]nn2
【MOL File】
1H-1,2,3-TRIAZOLO[4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDINE-5,7(4H,6H)-DIONE, 6-ETHYL-4-PROPYL-.cml