4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one

C12H12N2O2 — CID 162369797

IUPAC4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
SMILESCC1=NNC(=O)CC1=Cc1ccc(O)cc1
InChIInChI=1S/C12H12N2O2/c1-8-10(7-12(16)14-13-8)6-9-2-4-11(15)5-3-9/h2-6,15H,7H2,1H3,(H,14,16)
InChIKeySSPFGWMPDJUJKJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.67
Rot. Bonds1

About 4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one

4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one (PubChem CID 162369797) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
PubChem CID162369797
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
SMILESCC1=NNC(=O)CC1=Cc1ccc(O)cc1
InChIInChI=1S/C12H12N2O2/c1-8-10(7-12(16)14-13-8)6-9-2-4-11(15)5-3-9/h2-6,15H,7H2,1H3,(H,14,16)
InChIKeySSPFGWMPDJUJKJ-UHFFFAOYSA-N
XLogP1.67
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one (CID 162369797) is 4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one is CC1=NNC(=O)CC1=Cc1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one?
The InChIKey is SSPFGWMPDJUJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-10(7-12(16)14-13-8)6-9-2-4-11(15)5-3-9/h2-6,15H,7H2,1H3,(H,14,16).
What are the key properties of 4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one?
4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 162369797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).