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

C16H23N3O2 — CID 14373575

IUPAC3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(NCCCCCCO)cc2)=NN1
InChIInChI=1S/C16H23N3O2/c20-12-4-2-1-3-11-17-14-7-5-13(6-8-14)15-9-10-16(21)19-18-15/h5-8,17,20H,1-4,9-12H2,(H,19,21)
InChIKeyYBZVEOZFOUKWAU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.27
Rot. Bonds8

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

3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 14373575) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID14373575
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(NCCCCCCO)cc2)=NN1
InChIInChI=1S/C16H23N3O2/c20-12-4-2-1-3-11-17-14-7-5-13(6-8-14)15-9-10-16(21)19-18-15/h5-8,17,20H,1-4,9-12H2,(H,19,21)
InChIKeyYBZVEOZFOUKWAU-UHFFFAOYSA-N
XLogP2.27
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
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-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 14373575) is 3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(NCCCCCCO)cc2)=NN1.
What is the InChIKey of 3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is YBZVEOZFOUKWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-12-4-2-1-3-11-17-14-7-5-13(6-8-14)15-9-10-16(21)19-18-15/h5-8,17,20H,1-4,9-12H2,(H,19,21).
What are the key properties of 3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 289.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 14373575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).