Cas no 72177-30-1 (1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]-)

1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]- structure
72177-30-1 structure
Product Name:1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]-
CAS No:72177-30-1
MF:C13H8N6O6
MW:344.239221572876
CID:565889
PubChem ID:338741
Update Time:2025-04-19

1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]-
    • 2-[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine -6-carboxylic acid
    • 2-(2-(3,5-Dihydroxy-1,2,4-triazin-6-yl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
    • 2-[2-(3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-phenyl]-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazine-6-carboxylic acid
    • AC1L7OH4
    • AG-G-83797
    • NCIStruc1_001877
    • NCIStruc2_001972
    • NSC362639
    • 1,2,4-TRIAZINE-6-CARBOXYLIC ACID, 2,3,4,5-TETRAHYDRO-3,5-DIOXO-2-(2-(2,3,4,5-TETRAHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-6-YL)PHENYL)-
    • NSC-362639
    • 2-[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
    • NCGC00014827-02
    • UNII-DYO2ULQ3CL
    • DYO2ULQ3CL
    • NCGC00014827
    • 2-[2-(3,5-dihydroxy-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
    • 72177-30-1
    • CCG-37044
    • NCI60_003313
    • CHEMBL1333823
    • HMS2886O11
    • DTXSID70222510
    • NCI362639
    • NCGC00097928-01
    • NSC 362639
    • 2,3,4,5-TETRAHYDRO-3,5-DIOXO-2-(2-(2,3,4,5-TETRAHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-6-YL)PHENYL)-1,2,4-TRIAZINE-6-CARBOXYLIC ACID
    • SMR000528988
    • MLS000756908
    • Inchi: 1S/C13H8N6O6/c20-9-7(16-17-12(24)14-9)5-3-1-2-4-6(5)19-13(25)15-10(21)8(18-19)11(22)23/h1-4H,(H,22,23)(H,15,21,25)(H2,14,17,20,24)
    • InChI Key: IXKGNNQTJQVGKK-UHFFFAOYSA-N
    • SMILES: O=C1NC(C(C(=O)O)=NN1C1=CC=CC=C1C1C(NC(NN=1)=O)=O)=O

Computed Properties

  • Exact Mass: 344.05064
  • Monoisotopic Mass: 344.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 743
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 170?2

Experimental Properties

  • Density: 1.97
  • Refractive Index: 1.869
  • PSA: 169.63
  • LogP: -1.94240
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