4-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2,4-triazine-3,5-dione


Chemical Name: 4-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2,4-triazine-3,5-dione
CAS Number: 179756-58-2
Product Number: AG00278D(AGN-PC-0JN2SM)
Synonyms:
MDL No:
Molecular Formula: C16H23N7O2
Molecular Weight: 345.3995

Identification/Properties


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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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