3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one

C14H17N3O — CID 70436916

IUPAC3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCN(C)c1ccc(C=CC2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H17N3O/c1-17(2)13-8-4-11(5-9-13)3-6-12-7-10-14(18)16-15-12/h3-6,8-9H,7,10H2,1-2H3,(H,16,18)
InChIKeyFRGMYJXBRJSEBG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.03
Rot. Bonds3

About 3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 70436916) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID70436916
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCN(C)c1ccc(C=CC2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H17N3O/c1-17(2)13-8-4-11(5-9-13)3-6-12-7-10-14(18)16-15-12/h3-6,8-9H,7,10H2,1-2H3,(H,16,18)
InChIKeyFRGMYJXBRJSEBG-UHFFFAOYSA-N
XLogP2.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 70436916) is 3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one is CN(C)c1ccc(C=CC2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is FRGMYJXBRJSEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(2)13-8-4-11(5-9-13)3-6-12-7-10-14(18)16-15-12/h3-6,8-9H,7,10H2,1-2H3,(H,16,18).
What are the key properties of 3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 243.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(dimethylamino)phenyl]ethenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 70436916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).