Basic information
- CAS
54058-36-5- Standard SMILES
Cn1c(N)c(N=Nc2ccccc2)c(=O)[nH]c1=O- InChIKey
XKZBRDMWKJCRAA-UHFFFAOYSA-N- Molecular formula
- C11H11N5O2
- Average molar mass
- 245.24 g/mol
- Monoisotopic mass
- 245.09127461
Names & identifiers
- Preferred name
- 6-Amino-1-methyl-5-phenyldiazenylpyrimidine-2,4-dione
- IUPAC
- 6-amino-1-methyl-5-phenyldiazenylpyrimidine-2,4-dione
Names & synonyms
NSC29186854058-36-5DTXSID20423550NSC-291868(5E)-6-Imino-1-methyl-5-(2-phenylhydrazinylidene)-1,3-diazinane-2,4-dione
Database identifiers
- CAS
54058-36-5- PubChem CID
- 324892
- DTXSID
DTXSID20423550
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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