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

C7H6N4O — CID 103293837

IUPAC2-pyridazin-3-yl-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1-c1cccnn1
InChIInChI=1S/C7H6N4O/c12-7-3-5-9-11(7)6-2-1-4-8-10-6/h1-5,9H
InChIKeyKCKHVRMFOJMJOE-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.04
Rot. Bonds1

About 2-pyridazin-3-yl-1H-pyrazol-3-one

2-pyridazin-3-yl-1H-pyrazol-3-one (PubChem CID 103293837) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-pyridazin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-pyridazin-3-yl-1H-pyrazol-3-one
PubChem CID103293837
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-pyridazin-3-yl-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1-c1cccnn1
InChIInChI=1S/C7H6N4O/c12-7-3-5-9-11(7)6-2-1-4-8-10-6/h1-5,9H
InChIKeyKCKHVRMFOJMJOE-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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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-pyridazin-3-yl-1H-pyrazol-3-one (CID 103293837) is 2-pyridazin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-pyridazin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-pyridazin-3-yl-1H-pyrazol-3-one is O=c1cc[nH]n1-c1cccnn1.
What is the InChIKey of 2-pyridazin-3-yl-1H-pyrazol-3-one?
The InChIKey is KCKHVRMFOJMJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-7-3-5-9-11(7)6-2-1-4-8-10-6/h1-5,9H.
What are the key properties of 2-pyridazin-3-yl-1H-pyrazol-3-one?
2-pyridazin-3-yl-1H-pyrazol-3-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 2-pyridazin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103293837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).