W0J
- Molecular formula
- C10 H16 N4
- Molecular weight (g/mol)
- 192.27
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
- SMILES
- CNC1CCCN(C1)c2cccnn2
- Isomeric SMILES
- CN[C@@H]1CCCN(C1)c2cccnn2
- InChI
- InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/s1
- InChIKey
- QLSDWIHANVSIEK-SECBINFHSA-N
Chemical & physical properties
- HBA
- 4
- HBD
- 1
- TPSA (Ų)
- 41.05
- cLogP
- 0.66
- Chiral atoms
- 1
- Molar refractivity
- 56.33
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.6
- Formal charge
- 0
Calculated properties
QED0.747
NPScore-0.408147272
SAScore6.831981391