5-(3,5-Dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)-2-methylbenzoic acid

HCID 22267455

Basic information

CAS
524712-48-9
Standard SMILES
Cc1ccc(-n2ncc(=O)[nH]c2=O)cc1C(=O)O
InChIKey
UVLOEHMWZPKKKN-UHFFFAOYSA-N
Molecular formula
C11H9N3O4
Average molar mass
247.21 g/mol
Monoisotopic mass
247.05930577

Names & identifiers

Preferred name
5-(3,5-Dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)-2-methylbenzoic acid
IUPAC
5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-methylbenzoic acid

Names & synonyms

524712-48-9SCHEMBL1412845DTXSID70624090UVLOEHMWZPKKKN-UHFFFAOYSA-N5-(3,5-Dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)-2-methylbenzoic acid2-methyl-5-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-benzoic acid5-(3,5-Dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-2-methyl-benzoic acid

Database identifiers

CAS
524712-48-9
PubChem CID
22267455
DTXSID
DTXSID70624090

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
99.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
18

Related reactions

14 records

Compound notes

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