649736-26-5
6-(BENZYLOXY)-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZIN-4(3H)-ONE
Name6-(BENZYLOXY)-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZIN-4(3H)-ONE
1Identification
【Name】
6-(BENZYLOXY)-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZIN-4(3H)-ONE
【CAS】
【MDL】
MFCD11869898
【English Synonyms】
【Formula】
C14 H13 N3 O2
【MolWeight】
255.276
【Inchi】
InChI=1S/C14H13N3O2/c1-10-12(19-8-11-5-3-2-4-6-11)7-17-13(10)14(18)15-9-16-17/h2-7,9H,8H2,1H3,(H,15,16,18)
【InChIKey】
InChIKey=PUSGMIOQZISFKO-UHFFFAOYSA-N
【SMILES】
Cc1c(cn2c1c(=O)[nH]cn2)OCc3ccccc3
【MOL File】
6-(BENZYLOXY)-5-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(BENZYLOXY)-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZIN-4(3H)-ONE.cml