4-chloro-2,4-dihydro-1H-pyridazin-3-one

C4H5ClN2O — CID 169223995

IUPAC4-chloro-2,4-dihydro-1H-pyridazin-3-one
SMILESO=C1NNC=CC1Cl
InChIInChI=1S/C4H5ClN2O/c5-3-1-2-6-7-4(3)8/h1-3,6H,(H,7,8)
InChIKeyHNPHXYMYYBHOIC-UHFFFAOYSA-N
MW132.55 g/mol
LogP-0.26
Rot. Bonds

About 4-chloro-2,4-dihydro-1H-pyridazin-3-one

4-chloro-2,4-dihydro-1H-pyridazin-3-one (PubChem CID 169223995) has the molecular formula C4H5ClN2O and a molecular weight of 132.55 g/mol. Its IUPAC name is 4-chloro-2,4-dihydro-1H-pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2,4-dihydro-1H-pyridazin-3-one
PubChem CID169223995
Molecular FormulaC4H5ClN2O
Molecular Weight132.55 g/mol
Exact Mass132.01
IUPAC Name4-chloro-2,4-dihydro-1H-pyridazin-3-one
SMILESO=C1NNC=CC1Cl
InChIInChI=1S/C4H5ClN2O/c5-3-1-2-6-7-4(3)8/h1-3,6H,(H,7,8)
InChIKeyHNPHXYMYYBHOIC-UHFFFAOYSA-N
XLogP-0.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,4-dihydro-1H-pyridazin-3-one?
The IUPAC name of 4-chloro-2,4-dihydro-1H-pyridazin-3-one (CID 169223995) is 4-chloro-2,4-dihydro-1H-pyridazin-3-one.
What is the SMILES notation for 4-chloro-2,4-dihydro-1H-pyridazin-3-one?
The canonical SMILES for 4-chloro-2,4-dihydro-1H-pyridazin-3-one is O=C1NNC=CC1Cl.
What is the InChIKey of 4-chloro-2,4-dihydro-1H-pyridazin-3-one?
The InChIKey is HNPHXYMYYBHOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O/c5-3-1-2-6-7-4(3)8/h1-3,6H,(H,7,8).
What are the key properties of 4-chloro-2,4-dihydro-1H-pyridazin-3-one?
4-chloro-2,4-dihydro-1H-pyridazin-3-one has a molecular weight of 132.55 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,4-dihydro-1H-pyridazin-3-one is sourced from PubChem (CID 169223995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).