1-phenyl-1-pyridazin-3-ylethanol

C12H12N2O — CID 15684261

IUPAC1-phenyl-1-pyridazin-3-ylethanol
SMILESCC(O)(c1ccccc1)c1cccnn1
InChIInChI=1S/C12H12N2O/c1-12(15,10-6-3-2-4-7-10)11-8-5-9-13-14-11/h2-9,15H,1H3
InChIKeyCLKDRSBCPYLFHR-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.73
Rot. Bonds2

About 1-phenyl-1-pyridazin-3-ylethanol

1-phenyl-1-pyridazin-3-ylethanol (PubChem CID 15684261) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-phenyl-1-pyridazin-3-ylethanol.

Molecular Properties

Compound Name1-phenyl-1-pyridazin-3-ylethanol
PubChem CID15684261
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-phenyl-1-pyridazin-3-ylethanol
SMILESCC(O)(c1ccccc1)c1cccnn1
InChIInChI=1S/C12H12N2O/c1-12(15,10-6-3-2-4-7-10)11-8-5-9-13-14-11/h2-9,15H,1H3
InChIKeyCLKDRSBCPYLFHR-UHFFFAOYSA-N
XLogP1.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-pyridazin-3-ylethanol?
The IUPAC name of 1-phenyl-1-pyridazin-3-ylethanol (CID 15684261) is 1-phenyl-1-pyridazin-3-ylethanol.
What is the SMILES notation for 1-phenyl-1-pyridazin-3-ylethanol?
The canonical SMILES for 1-phenyl-1-pyridazin-3-ylethanol is CC(O)(c1ccccc1)c1cccnn1.
What is the InChIKey of 1-phenyl-1-pyridazin-3-ylethanol?
The InChIKey is CLKDRSBCPYLFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-12(15,10-6-3-2-4-7-10)11-8-5-9-13-14-11/h2-9,15H,1H3.
What are the key properties of 1-phenyl-1-pyridazin-3-ylethanol?
1-phenyl-1-pyridazin-3-ylethanol has a molecular weight of 200.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-pyridazin-3-ylethanol is sourced from PubChem (CID 15684261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).