4-(3-phenylpyrazin-2-yl)oxybenzonitrile

C17H11N3O — CID 69174651

IUPAC4-(3-phenylpyrazin-2-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2nccnc2-c2ccccc2)cc1
InChIInChI=1S/C17H11N3O/c18-12-13-6-8-15(9-7-13)21-17-16(19-10-11-20-17)14-4-2-1-3-5-14/h1-11H
InChIKeyHRLOKZJAIOLCRC-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.81
Rot. Bonds3

About 4-(3-phenylpyrazin-2-yl)oxybenzonitrile

4-(3-phenylpyrazin-2-yl)oxybenzonitrile (PubChem CID 69174651) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-(3-phenylpyrazin-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(3-phenylpyrazin-2-yl)oxybenzonitrile
PubChem CID69174651
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name4-(3-phenylpyrazin-2-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2nccnc2-c2ccccc2)cc1
InChIInChI=1S/C17H11N3O/c18-12-13-6-8-15(9-7-13)21-17-16(19-10-11-20-17)14-4-2-1-3-5-14/h1-11H
InChIKeyHRLOKZJAIOLCRC-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 4-(3-phenylpyrazin-2-yl)oxybenzonitrile?
The IUPAC name of 4-(3-phenylpyrazin-2-yl)oxybenzonitrile (CID 69174651) is 4-(3-phenylpyrazin-2-yl)oxybenzonitrile.
What is the SMILES notation for 4-(3-phenylpyrazin-2-yl)oxybenzonitrile?
The canonical SMILES for 4-(3-phenylpyrazin-2-yl)oxybenzonitrile is N#Cc1ccc(Oc2nccnc2-c2ccccc2)cc1.
What is the InChIKey of 4-(3-phenylpyrazin-2-yl)oxybenzonitrile?
The InChIKey is HRLOKZJAIOLCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c18-12-13-6-8-15(9-7-13)21-17-16(19-10-11-20-17)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 4-(3-phenylpyrazin-2-yl)oxybenzonitrile?
4-(3-phenylpyrazin-2-yl)oxybenzonitrile 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 4-(3-phenylpyrazin-2-yl)oxybenzonitrile is sourced from PubChem (CID 69174651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).