4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one

C11H17N3O — CID 166162675

IUPAC4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
SMILESCc1cc(C)c(=O)n([C@@H]2CCCNC2)n1
InChIInChI=1S/C11H17N3O/c1-8-6-9(2)13-14(11(8)15)10-4-3-5-12-7-10/h6,10,12H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyKQYJWSYZWURELO-SNVBAGLBSA-N
MW207.28 g/mol
LogP0.78
Rot. Bonds1

About 4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one

4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one (PubChem CID 166162675) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
PubChem CID166162675
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
SMILESCc1cc(C)c(=O)n([C@@H]2CCCNC2)n1
InChIInChI=1S/C11H17N3O/c1-8-6-9(2)13-14(11(8)15)10-4-3-5-12-7-10/h6,10,12H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyKQYJWSYZWURELO-SNVBAGLBSA-N
XLogP0.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one (CID 166162675) is 4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one is Cc1cc(C)c(=O)n([C@@H]2CCCNC2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one?
The InChIKey is KQYJWSYZWURELO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-6-9(2)13-14(11(8)15)10-4-3-5-12-7-10/h6,10,12H,3-5,7H2,1-2H3/t10-/m1/s1.
What are the key properties of 4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one?
4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 166162675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).