Basic information
- Standard SMILES
COc1cc2c3cnc(N)nc3n(C3CCCC3)c2nn1- InChIKey
PVUSXGJEQXPUIX-UHFFFAOYSA-N- Molecular formula
- C14H16N6O
- Average molar mass
- 284.32 g/mol
Names & identifiers
- Preferred name
- 9-Cyclopentyl-3-methoxy-9H-pyrimido[5',4':4,5]pyrrolo[2,3-c]pyridazin-7-amine
- IUPAC
- 8-cyclopentyl-12-methoxy-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine
Names & synonyms
SCHEMBL1980145PVUSXGJEQXPUIX-UHFFFAOYSA-N9-Cyclopentyl-3-methoxy-9H-pyrimido[5',4':4,5]pyrrolo[2,3-c]pyridazin-7-amine
Database identifiers
- PubChem CID
- 58300075
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
2 records
Compound notes
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