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

C18H13N3O — CID 10469293

IUPAC3-(6-phenylmethoxypyridazin-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnnc(OCc3ccccc3)c2)c1
InChIInChI=1S/C18H13N3O/c19-11-15-7-4-8-16(9-15)17-10-18(21-20-12-17)22-13-14-5-2-1-3-6-14/h1-10,12H,13H2
InChIKeySQFHCJNYGPVTHZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.59
Rot. Bonds4

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

3-(6-phenylmethoxypyridazin-4-yl)benzonitrile (PubChem CID 10469293) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(6-phenylmethoxypyridazin-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-phenylmethoxypyridazin-4-yl)benzonitrile
PubChem CID10469293
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3-(6-phenylmethoxypyridazin-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnnc(OCc3ccccc3)c2)c1
InChIInChI=1S/C18H13N3O/c19-11-15-7-4-8-16(9-15)17-10-18(21-20-12-17)22-13-14-5-2-1-3-6-14/h1-10,12H,13H2
InChIKeySQFHCJNYGPVTHZ-UHFFFAOYSA-N
XLogP3.59
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylmethoxypyridazin-4-yl)benzonitrile?
The IUPAC name of 3-(6-phenylmethoxypyridazin-4-yl)benzonitrile (CID 10469293) is 3-(6-phenylmethoxypyridazin-4-yl)benzonitrile.
What is the SMILES notation for 3-(6-phenylmethoxypyridazin-4-yl)benzonitrile?
The canonical SMILES for 3-(6-phenylmethoxypyridazin-4-yl)benzonitrile is N#Cc1cccc(-c2cnnc(OCc3ccccc3)c2)c1.
What is the InChIKey of 3-(6-phenylmethoxypyridazin-4-yl)benzonitrile?
The InChIKey is SQFHCJNYGPVTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-11-15-7-4-8-16(9-15)17-10-18(21-20-12-17)22-13-14-5-2-1-3-6-14/h1-10,12H,13H2.
What are the key properties of 3-(6-phenylmethoxypyridazin-4-yl)benzonitrile?
3-(6-phenylmethoxypyridazin-4-yl)benzonitrile has a molecular weight of 287.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylmethoxypyridazin-4-yl)benzonitrile is sourced from PubChem (CID 10469293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).