3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one

C13H14N2O2 — CID 90332631

IUPAC3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1cccc(CCO)c1
InChIInChI=1S/C13H14N2O2/c1-9-7-12(17)14-15-13(9)11-4-2-3-10(8-11)5-6-16/h2-4,7-8,16H,5-6H2,1H3,(H,14,17)
InChIKeySDBVHAOXLPUYON-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.28
Rot. Bonds3

About 3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one

3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one (PubChem CID 90332631) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one
PubChem CID90332631
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1cccc(CCO)c1
InChIInChI=1S/C13H14N2O2/c1-9-7-12(17)14-15-13(9)11-4-2-3-10(8-11)5-6-16/h2-4,7-8,16H,5-6H2,1H3,(H,14,17)
InChIKeySDBVHAOXLPUYON-UHFFFAOYSA-N
XLogP1.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one (CID 90332631) is 3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one is Cc1cc(=O)[nH]nc1-c1cccc(CCO)c1.
What is the InChIKey of 3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one?
The InChIKey is SDBVHAOXLPUYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-7-12(17)14-15-13(9)11-4-2-3-10(8-11)5-6-16/h2-4,7-8,16H,5-6H2,1H3,(H,14,17).
What are the key properties of 3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one?
3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 90332631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).