hypochlorous acid;1H-pyridazin-6-one

C4H5ClN2O2 — CID 160576927

IUPAChypochlorous acid;1H-pyridazin-6-one
SMILESO=c1cccn[nH]1.OCl
InChIInChI=1S/C4H4N2O.ClHO/c7-4-2-1-3-5-6-4;1-2/h1-3H,(H,6,7);2H
InChIKeyRBGRPRPWOLFJIQ-UHFFFAOYSA-N
MW148.55 g/mol
LogP-0.10
Rot. Bonds

About hypochlorous acid;1H-pyridazin-6-one

hypochlorous acid;1H-pyridazin-6-one (PubChem CID 160576927) has the molecular formula C4H5ClN2O2 and a molecular weight of 148.55 g/mol. Its IUPAC name is hypochlorous acid;1H-pyridazin-6-one.

Molecular Properties

Compound Namehypochlorous acid;1H-pyridazin-6-one
PubChem CID160576927
Molecular FormulaC4H5ClN2O2
Molecular Weight148.55 g/mol
Exact Mass148.00
IUPAC Namehypochlorous acid;1H-pyridazin-6-one
SMILESO=c1cccn[nH]1.OCl
InChIInChI=1S/C4H4N2O.ClHO/c7-4-2-1-3-5-6-4;1-2/h1-3H,(H,6,7);2H
InChIKeyRBGRPRPWOLFJIQ-UHFFFAOYSA-N
XLogP-0.10
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.55
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;1H-pyridazin-6-one?
The IUPAC name of hypochlorous acid;1H-pyridazin-6-one (CID 160576927) is hypochlorous acid;1H-pyridazin-6-one.
What is the SMILES notation for hypochlorous acid;1H-pyridazin-6-one?
The canonical SMILES for hypochlorous acid;1H-pyridazin-6-one is O=c1cccn[nH]1.OCl.
What is the InChIKey of hypochlorous acid;1H-pyridazin-6-one?
The InChIKey is RBGRPRPWOLFJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.ClHO/c7-4-2-1-3-5-6-4;1-2/h1-3H,(H,6,7);2H.
What are the key properties of hypochlorous acid;1H-pyridazin-6-one?
hypochlorous acid;1H-pyridazin-6-one has a molecular weight of 148.55 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;1H-pyridazin-6-one is sourced from PubChem (CID 160576927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).