3-Aminopteridin-4(3h)-one
Basic information
- CAS
6936-55-6- Standard SMILES
Nn1cnc2nccnc2c1=O- InChIKey
JANOEUNNKZCHMC-UHFFFAOYSA-N- Molecular formula
- C6H5N5O
- Average molar mass
- 163.14 g/mol
- Monoisotopic mass
- 163.0494098
Names & identifiers
- Preferred name
- 3-Aminopteridin-4(3h)-one
- IUPAC
- 3-aminopteridin-4-one
Names & synonyms
6936-55-63-aminopteridin-4(3h)-oneNSC22479DTXSID40281674NSC-22479
Database identifiers
- CAS
6936-55-6- PubChem CID
- 229077
- DTXSID
DTXSID40281674
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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