Basic information
- CAS
36120-38-4- Standard SMILES
O=c1c2nccnc2nc2n1CCCCC2- InChIKey
GTGZNNFPMCVGMU-UHFFFAOYSA-N- Molecular formula
- C11H12N4O
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.10111102
Names & identifiers
- Preferred name
- 7,8,9,10-Tetrahydroazepino[2,1-b]pteridin-12(6h)-one
- IUPAC
- 7,8,9,10-tetrahydro-6H-azepino[2,1-b]pteridin-12-one
Names & synonyms
7,8,9,10-tetrahydroazepino[2,1-b]pteridin-12(6h)-one36120-38-4NSC1376647,8,9,10-tetrahydro-6H-azepino[2,1-b]pteridin-12-oneDTXSID90300586NSC-137664
Database identifiers
- CAS
36120-38-4- PubChem CID
- 283273
- DTXSID
DTXSID90300586
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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