3-(1-hydroxyethyl)-1H-pyridazin-6-one

C6H8N2O2 — CID 91315869

IUPAC3-(1-hydroxyethyl)-1H-pyridazin-6-one
SMILESCC(O)c1ccc(=O)[nH]n1
InChIInChI=1S/C6H8N2O2/c1-4(9)5-2-3-6(10)8-7-5/h2-4,9H,1H3,(H,8,10)
InChIKeyXCAJVUSDAFLLPV-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.18
Rot. Bonds1

About 3-(1-hydroxyethyl)-1H-pyridazin-6-one

3-(1-hydroxyethyl)-1H-pyridazin-6-one (PubChem CID 91315869) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-1H-pyridazin-6-one
PubChem CID91315869
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-(1-hydroxyethyl)-1H-pyridazin-6-one
SMILESCC(O)c1ccc(=O)[nH]n1
InChIInChI=1S/C6H8N2O2/c1-4(9)5-2-3-6(10)8-7-5/h2-4,9H,1H3,(H,8,10)
InChIKeyXCAJVUSDAFLLPV-UHFFFAOYSA-N
XLogP-0.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(1-hydroxyethyl)-1H-pyridazin-6-one (CID 91315869) is 3-(1-hydroxyethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(1-hydroxyethyl)-1H-pyridazin-6-one is CC(O)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(1-hydroxyethyl)-1H-pyridazin-6-one?
The InChIKey is XCAJVUSDAFLLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4(9)5-2-3-6(10)8-7-5/h2-4,9H,1H3,(H,8,10).
What are the key properties of 3-(1-hydroxyethyl)-1H-pyridazin-6-one?
3-(1-hydroxyethyl)-1H-pyridazin-6-one has a molecular weight of 140.14 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 91315869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).