5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one

C15H18FN3O2 — CID 72876842

IUPAC5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one
SMILESCN(C)c1cnn(CCCOc2ccc(F)cc2)c(=O)c1
InChIInChI=1S/C15H18FN3O2/c1-18(2)13-10-15(20)19(17-11-13)8-3-9-21-14-6-4-12(16)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyFZMVGLVTMPWYTF-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.92
Rot. Bonds6

About 5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one

5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one (PubChem CID 72876842) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one
PubChem CID72876842
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one
SMILESCN(C)c1cnn(CCCOc2ccc(F)cc2)c(=O)c1
InChIInChI=1S/C15H18FN3O2/c1-18(2)13-10-15(20)19(17-11-13)8-3-9-21-14-6-4-12(16)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyFZMVGLVTMPWYTF-UHFFFAOYSA-N
XLogP1.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.92
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 5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one (CID 72876842) is 5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one is CN(C)c1cnn(CCCOc2ccc(F)cc2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one?
The InChIKey is FZMVGLVTMPWYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-18(2)13-10-15(20)19(17-11-13)8-3-9-21-14-6-4-12(16)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one?
5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one has a molecular weight of 291.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[3-(4-fluorophenoxy)propyl]pyridazin-3-one is sourced from PubChem (CID 72876842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).