3-(2-oxopropoxy)-1H-pyridazin-6-one

C7H8N2O3 — CID 23402912

IUPAC3-(2-oxopropoxy)-1H-pyridazin-6-one
SMILESCC(=O)COc1ccc(=O)[nH]n1
InChIInChI=1S/C7H8N2O3/c1-5(10)4-12-7-3-2-6(11)8-9-7/h2-3H,4H2,1H3,(H,8,11)
InChIKeyQZUIVGHJNYGQLM-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.26
Rot. Bonds3

About 3-(2-oxopropoxy)-1H-pyridazin-6-one

3-(2-oxopropoxy)-1H-pyridazin-6-one (PubChem CID 23402912) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-(2-oxopropoxy)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-oxopropoxy)-1H-pyridazin-6-one
PubChem CID23402912
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-(2-oxopropoxy)-1H-pyridazin-6-one
SMILESCC(=O)COc1ccc(=O)[nH]n1
InChIInChI=1S/C7H8N2O3/c1-5(10)4-12-7-3-2-6(11)8-9-7/h2-3H,4H2,1H3,(H,8,11)
InChIKeyQZUIVGHJNYGQLM-UHFFFAOYSA-N
XLogP-0.26
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropoxy)-1H-pyridazin-6-one?
The IUPAC name of 3-(2-oxopropoxy)-1H-pyridazin-6-one (CID 23402912) is 3-(2-oxopropoxy)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-oxopropoxy)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-oxopropoxy)-1H-pyridazin-6-one is CC(=O)COc1ccc(=O)[nH]n1.
What is the InChIKey of 3-(2-oxopropoxy)-1H-pyridazin-6-one?
The InChIKey is QZUIVGHJNYGQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5(10)4-12-7-3-2-6(11)8-9-7/h2-3H,4H2,1H3,(H,8,11).
What are the key properties of 3-(2-oxopropoxy)-1H-pyridazin-6-one?
3-(2-oxopropoxy)-1H-pyridazin-6-one has a molecular weight of 168.15 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropoxy)-1H-pyridazin-6-one is sourced from PubChem (CID 23402912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).