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101073-86-3 | 2(1H)-Quinoxalinone, 3-(3-methyl-1,2,4-triazolo[3,4-f][1,2,4]triazin-8-yl)-
CAS No: 101073-86-3 Catalog No: AG0003OB MDL No:
Product Description
Catalog Number:
AG0003OB
Chemical Name:
2(1H)-Quinoxalinone, 3-(3-methyl-1,2,4-triazolo[3,4-f][1,2,4]triazin-8-yl)-
CAS Number:
101073-86-3
Molecular Formula:
C13H9N7O
Molecular Weight:
279.2569
IUPAC Name:
3-(3-methyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one
InChI:
InChI=1S/C13H9N7O/c1-7-18-19-12-10(14-6-15-20(7)12)11-13(21)17-9-5-3-2-4-8(9)16-11/h2-6H,1H3,(H,17,21)
InChI Key:
MWIDZZSIFZSWJZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2nc1c1ncnn2c1nnc2C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.263g/mol
Monoisotopic Mass:
279.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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