3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine

C24H19N3O5 — CID 18760029

IUPAC3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine
SMILESCOc1ccc(-c2cc(Oc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H19N3O5/c1-30-19-10-6-16(7-11-19)22-15-23(32-21-5-3-4-18(14-21)27(28)29)25-26-24(22)17-8-12-20(31-2)13-9-17/h3-15H,1-2H3
InChIKeyGHRIGRDDHLHSSG-UHFFFAOYSA-N
MW429.43 g/mol
LogP5.53
Rot. Bonds7

About 3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine

3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine (PubChem CID 18760029) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine
PubChem CID18760029
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine
SMILESCOc1ccc(-c2cc(Oc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H19N3O5/c1-30-19-10-6-16(7-11-19)22-15-23(32-21-5-3-4-18(14-21)27(28)29)25-26-24(22)17-8-12-20(31-2)13-9-17/h3-15H,1-2H3
InChIKeyGHRIGRDDHLHSSG-UHFFFAOYSA-N
XLogP5.53
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.43
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-(4-nitrophenoxy)phthalazine
CID 2869470
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
3,4-Bis(4-methoxyphenyl)-6-(2,3-difluorophenoxy)pyridazine
CID 10273629
3,4-Bis(4-methoxyphenyl)-6-(3-cyanophenoxy)pyridazine
CID 10294943
3,4-Bis(4-methoxyphenyl)-6-(4-methoxyphenoxy)pyridazine
CID 10295270
3,4-Bis(4-methoxyphenyl)-6-(2,5-difluorophenoxy)pyridazine
CID 10295622

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine (CID 18760029) is 3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine is COc1ccc(-c2cc(Oc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine?
The InChIKey is GHRIGRDDHLHSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-30-19-10-6-16(7-11-19)22-15-23(32-21-5-3-4-18(14-21)27(28)29)25-26-24(22)17-8-12-20(31-2)13-9-17/h3-15H,1-2H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine?
3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine has a molecular weight of 429.43 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-6-(3-nitrophenoxy)pyridazine is sourced from PubChem (CID 18760029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).