6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one

C15H19N3O2 — CID 127050747

IUPAC6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one
SMILESCN(C)CCCOc1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-17(2)11-6-12-20-14-9-10-15(19)18(16-14)13-7-4-3-5-8-13/h3-5,7-10H,6,11-12H2,1-2H3
InChIKeyBVWDDLZPBLAYHX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.56
Rot. Bonds6

About 6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one

6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one (PubChem CID 127050747) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one
PubChem CID127050747
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one
SMILESCN(C)CCCOc1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-17(2)11-6-12-20-14-9-10-15(19)18(16-14)13-7-4-3-5-8-13/h3-5,7-10H,6,11-12H2,1-2H3
InChIKeyBVWDDLZPBLAYHX-UHFFFAOYSA-N
XLogP1.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.56
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 6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one (CID 127050747) is 6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one is CN(C)CCCOc1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one?
The InChIKey is BVWDDLZPBLAYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17(2)11-6-12-20-14-9-10-15(19)18(16-14)13-7-4-3-5-8-13/h3-5,7-10H,6,11-12H2,1-2H3.
What are the key properties of 6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one?
6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-2-phenylpyridazin-3-one is sourced from PubChem (CID 127050747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).