3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C17H23N3O2 — CID 57402849

IUPAC3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(OCCCN3CCCC3)cc2)=NN1
InChIInChI=1S/C17H23N3O2/c21-17-9-8-16(18-19-17)14-4-6-15(7-5-14)22-13-3-12-20-10-1-2-11-20/h4-7H,1-3,8-13H2,(H,19,21)
InChIKeyYYRZMPMUNUDJOE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.17
Rot. Bonds6

About 3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 57402849) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID57402849
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(OCCCN3CCCC3)cc2)=NN1
InChIInChI=1S/C17H23N3O2/c21-17-9-8-16(18-19-17)14-4-6-15(7-5-14)22-13-3-12-20-10-1-2-11-20/h4-7H,1-3,8-13H2,(H,19,21)
InChIKeyYYRZMPMUNUDJOE-UHFFFAOYSA-N
XLogP2.17
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 57402849) is 3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(OCCCN3CCCC3)cc2)=NN1.
What is the InChIKey of 3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is YYRZMPMUNUDJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-17-9-8-16(18-19-17)14-4-6-15(7-5-14)22-13-3-12-20-10-1-2-11-20/h4-7H,1-3,8-13H2,(H,19,21).
What are the key properties of 3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 301.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 57402849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).