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

C25H19N3O3 — CID 10294943

IUPAC3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile
SMILESCOc1ccc(-c2cc(Oc3cccc(C#N)c3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H19N3O3/c1-29-20-10-6-18(7-11-20)23-15-24(31-22-5-3-4-17(14-22)16-26)27-28-25(23)19-8-12-21(30-2)13-9-19/h3-15H,1-2H3
InChIKeyLMVYLDPAAZWNLU-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.49
Rot. Bonds6

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

3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile (PubChem CID 10294943) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile
PubChem CID10294943
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile
SMILESCOc1ccc(-c2cc(Oc3cccc(C#N)c3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H19N3O3/c1-29-20-10-6-18(7-11-20)23-15-24(31-22-5-3-4-17(14-22)16-26)27-28-25(23)19-8-12-21(30-2)13-9-19/h3-15H,1-2H3
InChIKeyLMVYLDPAAZWNLU-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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Related Compounds

1-(4-Methylphenoxy)-4-(4-methylphenyl)phthalazine
CID 6401676
3-(4-Methoxyphenoxy)-6-phenylpyridazine-4-carbonitrile
CID 6404525
3-Phenoxy-6-phenylpyridazine-4-carbonitrile
CID 6404526
1-(4-Methylphenoxy)-4-phenylphthalazine
CID 6413250
5,6-Bis(4-methoxyphenyl)pyridazine-3-carbonitrile
CID 9901502
3,4-Bis(4-methoxyphenyl)-6-(2-cyanophenoxy)pyridazine
CID 10112167
3,4-Bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine
CID 10115219
3,4-Bis(4-methoxyphenyl)-6(2,3,4,5,6-pentafluorophenoxy)pyridazine
CID 10140295
3,4-Bis(4-methoxyphenyl)-6-(3,4-difluorophenoxy)pyridazine
CID 10159092
3,4-Bis(4-methoxyphenyl)-6-(phenoxy)pyridazine
CID 10178057
3,4-Bis(4-methoxyphenyl)-6-(2,6-difluorophenoxy)pyridazine
CID 10223878
3,4-Bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine
CID 10224533

Frequently Asked Questions

What is the IUPAC name of 3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile?
The IUPAC name of 3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile (CID 10294943) is 3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile.
What is the SMILES notation for 3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile?
The canonical SMILES for 3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile is COc1ccc(-c2cc(Oc3cccc(C#N)c3)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile?
The InChIKey is LMVYLDPAAZWNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-29-20-10-6-18(7-11-20)23-15-24(31-22-5-3-4-17(14-22)16-26)27-28-25(23)19-8-12-21(30-2)13-9-19/h3-15H,1-2H3.
What are the key properties of 3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile?
3-[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 3-[5,6-bis(4-methoxyphenyl)pyridazin-3-yl]oxybenzonitrile is sourced from PubChem (CID 10294943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).