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353744-80-6 | N-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-L-alanine Isobutyl Ester
CAS No: 353744-80-6 Catalog No: AG01FLI7 MDL No:
Product Description
Catalog Number:
AG01FLI7
Chemical Name:
N-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-L-alanine Isobutyl Ester
CAS Number:
353744-80-6
IUPAC Name:
2-methylpropyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanoate
InChI:
InChI=1S/C10H16N4O4/c1-5(2)4-18-9(16)6(3)11-7-8(15)12-10(17)14-13-7/h5-6H,4H2,1-3H3,(H,11,13)(H2,12,14,15,17)
InChI Key:
HZQPTGTZWVPZLS-UHFFFAOYSA-N
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.262g/mol
Monoisotopic Mass:
256.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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