3-phenoxy-6-phenylpyridazine-4-carbonitrile

C17H11N3O — CID 6404526

IUPAC3-phenoxy-6-phenylpyridazine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nnc1Oc1ccccc1
InChIInChI=1S/C17H11N3O/c18-12-14-11-16(13-7-3-1-4-8-13)19-20-17(14)21-15-9-5-2-6-10-15/h1-11H
InChIKeyBFHAUEIYEGWWEN-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.81
Rot. Bonds3

About 3-phenoxy-6-phenylpyridazine-4-carbonitrile

3-phenoxy-6-phenylpyridazine-4-carbonitrile (PubChem CID 6404526) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-phenoxy-6-phenylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-phenoxy-6-phenylpyridazine-4-carbonitrile
PubChem CID6404526
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name3-phenoxy-6-phenylpyridazine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nnc1Oc1ccccc1
InChIInChI=1S/C17H11N3O/c18-12-14-11-16(13-7-3-1-4-8-13)19-20-17(14)21-15-9-5-2-6-10-15/h1-11H
InChIKeyBFHAUEIYEGWWEN-UHFFFAOYSA-N
XLogP3.81
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-6-phenylpyridazine-4-carbonitrile?
The IUPAC name of 3-phenoxy-6-phenylpyridazine-4-carbonitrile (CID 6404526) is 3-phenoxy-6-phenylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-phenoxy-6-phenylpyridazine-4-carbonitrile?
The canonical SMILES for 3-phenoxy-6-phenylpyridazine-4-carbonitrile is N#Cc1cc(-c2ccccc2)nnc1Oc1ccccc1.
What is the InChIKey of 3-phenoxy-6-phenylpyridazine-4-carbonitrile?
The InChIKey is BFHAUEIYEGWWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c18-12-14-11-16(13-7-3-1-4-8-13)19-20-17(14)21-15-9-5-2-6-10-15/h1-11H.
What are the key properties of 3-phenoxy-6-phenylpyridazine-4-carbonitrile?
3-phenoxy-6-phenylpyridazine-4-carbonitrile has a molecular weight of 273.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-6-phenylpyridazine-4-carbonitrile is sourced from PubChem (CID 6404526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).