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

C17H11N3 — CID 11521728

IUPAC4-(6-phenylpyridazin-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2cnnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H11N3/c18-11-13-6-8-14(9-7-13)16-10-17(20-19-12-16)15-4-2-1-3-5-15/h1-10,12H
InChIKeyYICWHQNQWIQUMG-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.68
Rot. Bonds2

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

4-(6-phenylpyridazin-4-yl)benzonitrile (PubChem CID 11521728) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-(6-phenylpyridazin-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-phenylpyridazin-4-yl)benzonitrile
PubChem CID11521728
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name4-(6-phenylpyridazin-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2cnnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H11N3/c18-11-13-6-8-14(9-7-13)16-10-17(20-19-12-16)15-4-2-1-3-5-15/h1-10,12H
InChIKeyYICWHQNQWIQUMG-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 4-(6-phenylpyridazin-4-yl)benzonitrile?
The IUPAC name of 4-(6-phenylpyridazin-4-yl)benzonitrile (CID 11521728) is 4-(6-phenylpyridazin-4-yl)benzonitrile.
What is the SMILES notation for 4-(6-phenylpyridazin-4-yl)benzonitrile?
The canonical SMILES for 4-(6-phenylpyridazin-4-yl)benzonitrile is N#Cc1ccc(-c2cnnc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(6-phenylpyridazin-4-yl)benzonitrile?
The InChIKey is YICWHQNQWIQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c18-11-13-6-8-14(9-7-13)16-10-17(20-19-12-16)15-4-2-1-3-5-15/h1-10,12H.
What are the key properties of 4-(6-phenylpyridazin-4-yl)benzonitrile?
4-(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 4-(6-phenylpyridazin-4-yl)benzonitrile is sourced from PubChem (CID 11521728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).