621685-54-9
6-(HYDROXYMETHYL)-5-METHYL-PYRROLO[2,1-F][1,2,4]TRIAZIN-4(1H)-ONE
Name6-(HYDROXYMETHYL)-5-METHYL-PYRROLO[2,1-F][1,2,4]TRIAZIN-4(1H)-ONE
1Identification
【Name】
6-(HYDROXYMETHYL)-5-METHYL-PYRROLO[2,1-F][1,2,4]TRIAZIN-4(1H)-ONE
【CAS】
【MDL】
MFCD12924537
【English Synonyms】
【Formula】
C8 H9 N3 O2
【MolWeight】
179.178
【Inchi】
InChI=1S/C8H9N3O2/c1-5-6(3-12)2-11-7(5)8(13)9-4-10-11/h2,4,12H,3H2,1H3,(H,9,10,13)
【InChIKey】
InChIKey=XOXSCUFAOMGFMU-UHFFFAOYSA-N
【SMILES】
Cc1c(cn2c1c(=O)nc[nH]2)CO
【MOL File】
6-(HYDROXYMETHYL)-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(HYDROXYMETHYL)-5-METHYL-PYRROLO[2,1-F][1,2,4]TRIAZIN-4(1H)-ONE.cml