3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one

C14H16N4O2 — CID 25249937

IUPAC3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one
SMILESNc1cc(-c2ccc(=O)[nH]n2)ccc1N1CCOCC1
InChIInChI=1S/C14H16N4O2/c15-11-9-10(12-2-4-14(19)17-16-12)1-3-13(11)18-5-7-20-8-6-18/h1-4,9H,5-8,15H2,(H,17,19)
InChIKeyVLQDTNBOMUHYPM-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.86
Rot. Bonds2

About 3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one

3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one (PubChem CID 25249937) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one
PubChem CID25249937
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one
SMILESNc1cc(-c2ccc(=O)[nH]n2)ccc1N1CCOCC1
InChIInChI=1S/C14H16N4O2/c15-11-9-10(12-2-4-14(19)17-16-12)1-3-13(11)18-5-7-20-8-6-18/h1-4,9H,5-8,15H2,(H,17,19)
InChIKeyVLQDTNBOMUHYPM-UHFFFAOYSA-N
XLogP0.86
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one (CID 25249937) is 3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one is Nc1cc(-c2ccc(=O)[nH]n2)ccc1N1CCOCC1.
What is the InChIKey of 3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one?
The InChIKey is VLQDTNBOMUHYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-11-9-10(12-2-4-14(19)17-16-12)1-3-13(11)18-5-7-20-8-6-18/h1-4,9H,5-8,15H2,(H,17,19).
What are the key properties of 3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one?
3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one has a molecular weight of 272.31 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 25249937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).