1-(3,6-diphenylpyridazin-4-yl)propan-1-ol

C19H18N2O — CID 164575628

IUPAC1-(3,6-diphenylpyridazin-4-yl)propan-1-ol
SMILESCCC(O)c1cc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C19H18N2O/c1-2-18(22)16-13-17(14-9-5-3-6-10-14)20-21-19(16)15-11-7-4-8-12-15/h3-13,18,22H,2H2,1H3
InChIKeyZHINWYOHVGTJCL-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.25
Rot. Bonds4

About 1-(3,6-diphenylpyridazin-4-yl)propan-1-ol

1-(3,6-diphenylpyridazin-4-yl)propan-1-ol (PubChem CID 164575628) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(3,6-diphenylpyridazin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,6-diphenylpyridazin-4-yl)propan-1-ol
PubChem CID164575628
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-(3,6-diphenylpyridazin-4-yl)propan-1-ol
SMILESCCC(O)c1cc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C19H18N2O/c1-2-18(22)16-13-17(14-9-5-3-6-10-14)20-21-19(16)15-11-7-4-8-12-15/h3-13,18,22H,2H2,1H3
InChIKeyZHINWYOHVGTJCL-UHFFFAOYSA-N
XLogP4.25
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.25
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)propan-1-ol?
The IUPAC name of 1-(3,6-diphenylpyridazin-4-yl)propan-1-ol (CID 164575628) is 1-(3,6-diphenylpyridazin-4-yl)propan-1-ol.
What is the SMILES notation for 1-(3,6-diphenylpyridazin-4-yl)propan-1-ol?
The canonical SMILES for 1-(3,6-diphenylpyridazin-4-yl)propan-1-ol is CCC(O)c1cc(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 1-(3,6-diphenylpyridazin-4-yl)propan-1-ol?
The InChIKey is ZHINWYOHVGTJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-18(22)16-13-17(14-9-5-3-6-10-14)20-21-19(16)15-11-7-4-8-12-15/h3-13,18,22H,2H2,1H3.
What are the key properties of 1-(3,6-diphenylpyridazin-4-yl)propan-1-ol?
1-(3,6-diphenylpyridazin-4-yl)propan-1-ol has a molecular weight of 290.37 g/mol, XLogP of 4.25, 4 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)propan-1-ol is sourced from PubChem (CID 164575628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).