Basic information
- CAS
72177-30-1- Standard SMILES
O=C(O)c1nn(-c2ccccc2-c2n[nH]c(=O)[nH]c2=O)c(=O)[nH]c1=O- InChIKey
IXKGNNQTJQVGKK-UHFFFAOYSA-N- Molecular formula
- C13H8N6O6
- Average molar mass
- 344.24 g/mol
- Monoisotopic mass
- 344.050532
Names & identifiers
- Preferred name
- 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
- IUPAC
- 2-[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
- English name
- 2-[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine -6-carboxylic acid
- Molecular formula
- C13H8N6O6
- Molecular weight
- 0
Names & synonyms
72177-30-1DYO2ULQ3CL2-(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 acidUNII-DYO2ULQ3CLNSC 362639NSC-362639DTXSID702225101,2,4-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)-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 ACIDRefChem:83966DTXCID00145001NSC362639
Show more names
2-[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine -6-carboxylic acid
MLS000756908NCIStruc1_001877NCIStruc2_001972CHEMBL1333823HMS2886O11CCG-37044NCGC00014827NCI362639
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 743
Physicochemical properties
- FDA UNII
- 2 ULQ3CL · DYO2ULQ3CL
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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