55469-97-1
1,3,4,5-TETRAHYDRO-7-METHYL-2H-PYRIDO[2,3-B][1,4]DIAZEPIN-2-ONE
Name1,3,4,5-TETRAHYDRO-7-METHYL-2H-PYRIDO[2,3-B][1,4]DIAZEPIN-2-ONE
1Identification
【Name】
1,3,4,5-TETRAHYDRO-7-METHYL-2H-PYRIDO[2,3-B][1,4]DIAZEPIN-2-ONE
【CAS】
【MDL】
MFCD19704642
【English Synonyms】
【Formula】
C9 H11 N3 O
【MolWeight】
177.206
【Inchi】
InChI=1S/C9H11N3O/c1-6-2-3-7-9(11-6)10-5-4-8(13)12-7/h2-3H,4-5H2,1H3,(H,10,11)(H,12,13)
【InChIKey】
InChIKey=QJVSGOTUBSQNFW-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(n1)NCCC(=O)N2
【MOL File】
1,3,4,5-TETRAHYDRO-7….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,4,5-TETRAHYDRO-7-METHYL-2H-PYRIDO[2,3-B][1,4]DIAZEPIN-2-ONE.cml