AG00278D

179756-58-2 | 1,2,4-Triazine-3,5(2H,4H)-dione, 4-methyl-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-

AG00278D

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CAS Number	179756-58-2
Catalog Number	AG00278D(AGN-PC-0JN2SM)
Chemical Name	1,2,4-Triazine-3,5(2H,4H)-dione, 4-methyl-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
IUPAC Name	4-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2,4-triazine-3,5-dione
InChI	InChI=1S/C16H23N7O2/c1-20-14(24)13-19-23(16(20)25)8-3-2-7-21-9-11-22(12-10-21)15-17-5-4-6-18-15/h4-6,13H,2-3,7-12H2,1H3
InChI Key	NMYAHEULKSYAPP-UHFFFAOYSA-N
MDL Number	MFCD08690608
Molecular Formula	C16H23N7O2
Molecular Weight	345.3995
SMILES	O=C(N1C)N(CCCCN2CCN(C3=NC=CC=N3)CC2)N=CC1=O
UNII	3M824XRO8N
Synonyms	4-methyl-2-(4-(4-(pyrimidin-2-yl)piperazino)butyl)-2H,4H-1,2,4-triazin-3,5-dione, eptapirone, F 11440, F-11440, Eptapirone, 179756-58-2, F 11440, 179756-85-5, UNII-3M824XRO8N, Eptapirone [INN], 3M824XRO8N, F11440, Eptapirone (INN), 4-Methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-as-triazine-3,5(2H,4H)-dione., 4-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2,4-triazine-3,5-dione, 4-Methyl-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2,4-triazine-3,5(2H,4H)-dione, F-11440, AC1L4LMM, AC1Q6F2Z, SCHEMBL678195, CHEMBL2104230, CTK8H3201, DTXSID40170857, EX-A1215, ZINC2003628, MFCD08690608, AKOS030525233, CS-5539, 4-methyl-2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)-1,2,4-triazine-3,5(2H,4H)-dione, KS-0000001B, ACM179756855, AK545175, HY-19946, SC-21591, LS-192860, FT-0742442, D02576, L001606, 4-Methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-as-triazine-3,5(2H,4H)-dione, D0O9EM, C16H23N7O2, AR-1G3317, CID208928, C16-H23-N7-O2, A15923, C115127, 4-methyl-2-(4-(4-(pyrimidin-2-yl)piperazino)butyl)-2H,4H-1,2,4-triazin-3,5-dione, 21226-87-9,

Complexity	499
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	345.191g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	345.407g/mol
Monoisotopic Mass	345.191g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	85.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number