3-pyrazol-1-yl-1H-pyridazin-6-one

C7H6N4O — CID 56724904

IUPAC3-pyrazol-1-yl-1H-pyridazin-6-one
SMILESO=c1ccc(-n2cccn2)n[nH]1
InChIInChI=1S/C7H6N4O/c12-7-3-2-6(9-10-7)11-5-1-4-8-11/h1-5H,(H,10,12)
InChIKeyYPCWDSPMQZPKGU-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.04
Rot. Bonds1

About 3-pyrazol-1-yl-1H-pyridazin-6-one

3-pyrazol-1-yl-1H-pyridazin-6-one (PubChem CID 56724904) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-pyrazol-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-pyrazol-1-yl-1H-pyridazin-6-one
PubChem CID56724904
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name3-pyrazol-1-yl-1H-pyridazin-6-one
SMILESO=c1ccc(-n2cccn2)n[nH]1
InChIInChI=1S/C7H6N4O/c12-7-3-2-6(9-10-7)11-5-1-4-8-11/h1-5H,(H,10,12)
InChIKeyYPCWDSPMQZPKGU-UHFFFAOYSA-N
XLogP-0.04
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrol-1-yl-1H-pyridazin-6-one
CID 116787461
3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
CID 121205970
5-phenyl-3-pyrazol-1-yl-1H-pyrazole
CID 173358488
5-methyl-3-pyrazol-1-yl-1H-pyrazole
CID 12560597
cobalt;2,6-di(pyrazol-1-yl)pyridine
CID 175285024
iridium;1H-pyridazin-6-one
CID 161119742
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 161004059
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
(6-pyrazol-1-ylpyridazin-3-yl)hydrazine
CID 3031327
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridazin-6-one
CID 121205978
4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one
CID 139757385
5-(methylsulfanylmethyl)-2-pyrazol-1-ylpyridine
CID 148997787

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-1H-pyridazin-6-one?
The IUPAC name of 3-pyrazol-1-yl-1H-pyridazin-6-one (CID 56724904) is 3-pyrazol-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-pyrazol-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-pyrazol-1-yl-1H-pyridazin-6-one is O=c1ccc(-n2cccn2)n[nH]1.
What is the InChIKey of 3-pyrazol-1-yl-1H-pyridazin-6-one?
The InChIKey is YPCWDSPMQZPKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-7-3-2-6(9-10-7)11-5-1-4-8-11/h1-5H,(H,10,12).
What are the key properties of 3-pyrazol-1-yl-1H-pyridazin-6-one?
3-pyrazol-1-yl-1H-pyridazin-6-one has a molecular weight of 162.15 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 56724904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).