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5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one

C7H6N4O — CID 154416105

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1-c1cn[nH]c1
InChIInChI=1S/C7H6N4O/c12-7-6(1-2-8-11-7)5-3-9-10-4-5/h1-4H,(H,9,10)(H,11,12)
InChIKeySHNCORHTICOAKZ-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.16
Rot. Bonds1

About 5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one

5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one (PubChem CID 154416105) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one
PubChem CID154416105
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1-c1cn[nH]c1
InChIInChI=1S/C7H6N4O/c12-7-6(1-2-8-11-7)5-3-9-10-4-5/h1-4H,(H,9,10)(H,11,12)
InChIKeySHNCORHTICOAKZ-UHFFFAOYSA-N
XLogP0.16
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one (CID 154416105) is 5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one is O=c1[nH]nccc1-c1cn[nH]c1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one?
The InChIKey is SHNCORHTICOAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-7-6(1-2-8-11-7)5-3-9-10-4-5/h1-4H,(H,9,10)(H,11,12).
What are the key properties of 5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one?
5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one has a molecular weight of 162.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 154416105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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