1-(3,6-diphenylpyridazin-4-yl)ethanol

C18H16N2O — CID 164575610

IUPAC1-(3,6-diphenylpyridazin-4-yl)ethanol
SMILESCC(O)c1cc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C18H16N2O/c1-13(21)16-12-17(14-8-4-2-5-9-14)19-20-18(16)15-10-6-3-7-11-15/h2-13,21H,1H3
InChIKeySGFGEBGNDLEATL-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.86
Rot. Bonds3

About 1-(3,6-diphenylpyridazin-4-yl)ethanol

1-(3,6-diphenylpyridazin-4-yl)ethanol (PubChem CID 164575610) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3,6-diphenylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,6-diphenylpyridazin-4-yl)ethanol
PubChem CID164575610
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(3,6-diphenylpyridazin-4-yl)ethanol
SMILESCC(O)c1cc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C18H16N2O/c1-13(21)16-12-17(14-8-4-2-5-9-14)19-20-18(16)15-10-6-3-7-11-15/h2-13,21H,1H3
InChIKeySGFGEBGNDLEATL-UHFFFAOYSA-N
XLogP3.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-diphenylpyridazin-4-yl)ethanol?
The IUPAC name of 1-(3,6-diphenylpyridazin-4-yl)ethanol (CID 164575610) is 1-(3,6-diphenylpyridazin-4-yl)ethanol.
What is the SMILES notation for 1-(3,6-diphenylpyridazin-4-yl)ethanol?
The canonical SMILES for 1-(3,6-diphenylpyridazin-4-yl)ethanol is CC(O)c1cc(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 1-(3,6-diphenylpyridazin-4-yl)ethanol?
The InChIKey is SGFGEBGNDLEATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13(21)16-12-17(14-8-4-2-5-9-14)19-20-18(16)15-10-6-3-7-11-15/h2-13,21H,1H3.
What are the key properties of 1-(3,6-diphenylpyridazin-4-yl)ethanol?
1-(3,6-diphenylpyridazin-4-yl)ethanol has a molecular weight of 276.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-diphenylpyridazin-4-yl)ethanol is sourced from PubChem (CID 164575610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).