4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
Basic information
- CAS
7144-62-9- Standard SMILES
Cn1c(=O)[nH]nc(C(=O)O)c1=O- InChIKey
GCWRUKSNUGAAII-UHFFFAOYSA-N- Molecular formula
- C5H5N3O4
- Average molar mass
- 171.11 g/mol
- Monoisotopic mass
- 171.02800565
Names & identifiers
- Preferred name
- 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
- IUPAC
- 4-methyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxylic acid
Names & synonyms
7144-62-94-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid4-methyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxylic acidNSC57894DTXSID90288855NSC-57894DS-001368
Database identifiers
- CAS
7144-62-9- PubChem CID
- 245690
- DTXSID
DTXSID90288855
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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