2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one

C19H25N3O2 — CID 24995995

IUPAC2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
SMILESCn1ncc(-c2ccc(OCCCN3CCCCC3)cc2)cc1=O
InChIInChI=1S/C19H25N3O2/c1-21-19(23)14-17(15-20-21)16-6-8-18(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14-15H,2-5,10-13H2,1H3
InChIKeyIQDHHFRBYSXXIU-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.70
Rot. Bonds6

About 2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one

2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one (PubChem CID 24995995) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
PubChem CID24995995
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
SMILESCn1ncc(-c2ccc(OCCCN3CCCCC3)cc2)cc1=O
InChIInChI=1S/C19H25N3O2/c1-21-19(23)14-17(15-20-21)16-6-8-18(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14-15H,2-5,10-13H2,1H3
InChIKeyIQDHHFRBYSXXIU-UHFFFAOYSA-N
XLogP2.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one (CID 24995995) is 2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one is Cn1ncc(-c2ccc(OCCCN3CCCCC3)cc2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The InChIKey is IQDHHFRBYSXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-19(23)14-17(15-20-21)16-6-8-18(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14-15H,2-5,10-13H2,1H3.
What are the key properties of 2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one has a molecular weight of 327.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one is sourced from PubChem (CID 24995995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).