4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one

C14H15N3O2 — CID 3770299

IUPAC4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCOCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H15N3O2/c18-13-10-12(17-6-8-19-9-7-17)14(16-15-13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,18)
InChIKeyJPGKEXDMJHWKLE-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.27
Rot. Bonds2

About 4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one

4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one (PubChem CID 3770299) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one
PubChem CID3770299
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCOCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H15N3O2/c18-13-10-12(17-6-8-19-9-7-17)14(16-15-13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,18)
InChIKeyJPGKEXDMJHWKLE-UHFFFAOYSA-N
XLogP1.27
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one (CID 3770299) is 4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one is O=c1cc(N2CCOCC2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one?
The InChIKey is JPGKEXDMJHWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13-10-12(17-6-8-19-9-7-17)14(16-15-13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,18).
What are the key properties of 4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one?
4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one has a molecular weight of 257.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 3770299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).