151092-59-0
1,2,4-TRIAZIN-6(1H)-ONE, 2,5-DIHYDRO-3-(1,2,3,6-TETRAHYDRO-1-(2-HYDROX Y-2-(4-NITROPHENYL)ETHYL)-4-PYRIDINYL)-, HYDROCHLORIDE
Name1,2,4-TRIAZIN-6(1H)-ONE, 2,5-DIHYDRO-3-(1,2,3,6-TETRAHYDRO-1-(2-HYDROX Y-2-(4-NITROPHENYL)ETHYL)-4-PYRIDINYL)-, HYDROCHLORIDE
FormulaC16 H19 N5 O4 . Cl H
1Identification
【Name】
1,2,4-TRIAZIN-6(1H)-ONE, 2,5-DIHYDRO-3-(1,2,3,6-TETRAHYDRO-1-(2-HYDROX Y-2-(4-NITROPHENYL)ETHYL)-4-PYRIDINYL)-, HYDROCHLORIDE
【CAS】
【MDL】
MFCD01939273
【English Synonyms】
【Formula】
C16 H19 N5 O4 . Cl H
【MolWeight】
381.818
【Inchi】
InChI=1S/C16H19N5O4.ClH/c22-14(11-1-3-13(4-2-11)21(24)25)10-20-7-5-12(6-8-20)16-17-9-15(23)18-19-16;/h1-5,14,22H,6-10H2,(H,17,19)(H,18,23);1H
【InChIKey】
InChIKey=KDDVDOZLVZODKF-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(CN2CCC(=CC2)C3=NCC(=O)NN3)O)[N+](=O)[O-].Cl
【MOL File】
1,2,4-TRIAZIN-6(1H)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,4-TRIAZIN-6(1H)-ONE, 2,5-DIHYDRO-3-(1,2,3,6-TETRAHYDRO-1-(2-HYDROX Y-2-(4-NITROPHENYL)ETHYL)-4-PYRIDINYL)-, HYDROCHLORIDE.cml