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
- Formal charge
- 0
- Complexity
- 421
Related reactions
14 records
Compound notes
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