Creatol
Basic information
- CAS
133882-98-1- Standard SMILES
CN1C(N)=NC(=O)C1O- InChIKey
SMQPRZPBBUJEGU-UHFFFAOYSA-N- Molecular formula
- C4H7N3O2
- Average molar mass
- 129.12 g/mol
- Monoisotopic mass
- 129.05382648
Overview
structure given in first source
Names & identifiers
- Preferred name
- Creatol
- IUPAC
- 2-amino-4-hydroxy-3-methyl-4H-imidazol-5-one
Names & synonyms
5-HydroxycreatinineRefChem:128428133882-98-12-amino-5-hydroxy-1-methylimidazol-4(5H)-oneCreatol2-amino-4-hydroxy-3-methyl-4H-imidazol-5-oneDTXSID00928316AKOS0063641542-Imino-1-methyl-2,5-dihydro-1H-imidazole-4,5-diol
Database identifiers
- CAS
133882-98-1- PubChem CID
- 124266
- DTXSID
DTXSID00928316
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 177
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Related reactions
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Compound notes
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