3-(6-phenylpyridazin-4-yl)benzonitrile

C17H11N3 — CID 10400221

IUPAC3-(6-phenylpyridazin-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnnc(-c3ccccc3)c2)c1
InChIInChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)16-10-17(20-19-12-16)14-6-2-1-3-7-14/h1-10,12H
InChIKeyYIPXEQDLFGBASS-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.68
Rot. Bonds2

About 3-(6-phenylpyridazin-4-yl)benzonitrile

3-(6-phenylpyridazin-4-yl)benzonitrile (PubChem CID 10400221) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-(6-phenylpyridazin-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-phenylpyridazin-4-yl)benzonitrile
PubChem CID10400221
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name3-(6-phenylpyridazin-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnnc(-c3ccccc3)c2)c1
InChIInChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)16-10-17(20-19-12-16)14-6-2-1-3-7-14/h1-10,12H
InChIKeyYIPXEQDLFGBASS-UHFFFAOYSA-N
XLogP3.68
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylpyridazin-4-yl)benzonitrile?
The IUPAC name of 3-(6-phenylpyridazin-4-yl)benzonitrile (CID 10400221) is 3-(6-phenylpyridazin-4-yl)benzonitrile.
What is the SMILES notation for 3-(6-phenylpyridazin-4-yl)benzonitrile?
The canonical SMILES for 3-(6-phenylpyridazin-4-yl)benzonitrile is N#Cc1cccc(-c2cnnc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-(6-phenylpyridazin-4-yl)benzonitrile?
The InChIKey is YIPXEQDLFGBASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)16-10-17(20-19-12-16)14-6-2-1-3-7-14/h1-10,12H.
What are the key properties of 3-(6-phenylpyridazin-4-yl)benzonitrile?
3-(6-phenylpyridazin-4-yl)benzonitrile has a molecular weight of 257.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylpyridazin-4-yl)benzonitrile is sourced from PubChem (CID 10400221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).