2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile

C25H19N3O3 — CID 10112167

IUPAC2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile
SMILESCOc1ccc(-c2cc(Oc3ccccc3C#N)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H19N3O3/c1-29-20-11-7-17(8-12-20)22-15-24(31-23-6-4-3-5-19(23)16-26)27-28-25(22)18-9-13-21(30-2)14-10-18/h3-15H,1-2H3
InChIKeyUMIZQPPQIJQBBU-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.49
Rot. Bonds6

About 2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile

2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile (PubChem CID 10112167) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile
PubChem CID10112167
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile
SMILESCOc1ccc(-c2cc(Oc3ccccc3C#N)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H19N3O3/c1-29-20-11-7-17(8-12-20)22-15-24(31-23-6-4-3-5-19(23)16-26)27-28-25(22)18-9-13-21(30-2)14-10-18/h3-15H,1-2H3
InChIKeyUMIZQPPQIJQBBU-UHFFFAOYSA-N
XLogP5.49
TPSA77.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile?
The IUPAC name of 2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile (CID 10112167) is 2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile.
What is the SMILES notation for 2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile?
The canonical SMILES for 2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile is COc1ccc(-c2cc(Oc3ccccc3C#N)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile?
The InChIKey is UMIZQPPQIJQBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-29-20-11-7-17(8-12-20)22-15-24(31-23-6-4-3-5-19(23)16-26)27-28-25(22)18-9-13-21(30-2)14-10-18/h3-15H,1-2H3.
What are the key properties of 2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile?
2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile has a molecular weight of 409.45 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile is sourced from PubChem (CID 10112167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).