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Basic information
- CAS
88511-61-9- Standard SMILES
Cn1nc(C(=O)O)c(=O)[nH]c1=O- InChIKey
YESSLUNJUFVOMP-UHFFFAOYSA-N- Molecular formula
- C5H5N3O4
- Average molar mass
- 171.11 g/mol
- Monoisotopic mass
- 171.02800565
Names & identifiers
- Preferred name
- 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
- IUPAC
- 2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
Names & synonyms
88511-61-92-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxylic acidNSC52392SCHEMBL14968922DTXSID40287757NSC-52392DS-013443
Database identifiers
- CAS
88511-61-9- PubChem CID
- 243138
- DTXSID
DTXSID40287757
Properties
Computed structural propertiesFilling in
- 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
Related reactions
0 records
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Compound notes
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