Basic information
- Standard SMILES
CC1CN(C(=O)OC(C)(C)C)CCN1c1nnc(Cl)c2cnccc12- InChIKey
DKMCGSYLSFKECM-UHFFFAOYSA-N- Molecular formula
- C17H22ClN5O2
- Average molar mass
- 363.8 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-chloropyrido[3,4-d]pyridazin-1-yl)-3-methylpiperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-chloropyrido[3,4-d]pyridazin-1-yl)-3-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL3651755
Database identifiers
- PubChem CID
- 76585165
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
1 records
Compound notes
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