1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol

C16H14N4O — CID 68529387

IUPAC1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol
SMILESCC(O)c1cc(-c2ccccn2)nnc1-c1ccccn1
InChIInChI=1S/C16H14N4O/c1-11(21)12-10-15(13-6-2-4-8-17-13)19-20-16(12)14-7-3-5-9-18-14/h2-11,21H,1H3
InChIKeyISIGASSEBLFIPA-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.65
Rot. Bonds3

About 1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol

1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol (PubChem CID 68529387) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol
PubChem CID68529387
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol
SMILESCC(O)c1cc(-c2ccccn2)nnc1-c1ccccn1
InChIInChI=1S/C16H14N4O/c1-11(21)12-10-15(13-6-2-4-8-17-13)19-20-16(12)14-7-3-5-9-18-14/h2-11,21H,1H3
InChIKeyISIGASSEBLFIPA-UHFFFAOYSA-N
XLogP2.65
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol?
The IUPAC name of 1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol (CID 68529387) is 1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol.
What is the SMILES notation for 1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol?
The canonical SMILES for 1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol is CC(O)c1cc(-c2ccccn2)nnc1-c1ccccn1.
What is the InChIKey of 1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol?
The InChIKey is ISIGASSEBLFIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11(21)12-10-15(13-6-2-4-8-17-13)19-20-16(12)14-7-3-5-9-18-14/h2-11,21H,1H3.
What are the key properties of 1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol?
1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol has a molecular weight of 278.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dipyridin-2-ylpyridazin-4-yl)ethanol is sourced from PubChem (CID 68529387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).