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

C24H19N3O5 — CID 10224533

IUPAC3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine
SMILESCOc1ccc(-c2cc(Oc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H19N3O5/c1-30-19-9-3-16(4-10-19)22-15-23(32-21-13-7-18(8-14-21)27(28)29)25-26-24(22)17-5-11-20(31-2)12-6-17/h3-15H,1-2H3
InChIKeyCPSCTYKMUFSDPS-UHFFFAOYSA-N
MW429.43 g/mol
LogP5.53
Rot. Bonds7

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

3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine (PubChem CID 10224533) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine
PubChem CID10224533
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine
SMILESCOc1ccc(-c2cc(Oc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H19N3O5/c1-30-19-9-3-16(4-10-19)22-15-23(32-21-13-7-18(8-14-21)27(28)29)25-26-24(22)17-5-11-20(31-2)12-6-17/h3-15H,1-2H3
InChIKeyCPSCTYKMUFSDPS-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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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine (CID 10224533) is 3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine is COc1ccc(-c2cc(Oc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine?
The InChIKey is CPSCTYKMUFSDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-30-19-9-3-16(4-10-19)22-15-23(32-21-13-7-18(8-14-21)27(28)29)25-26-24(22)17-5-11-20(31-2)12-6-17/h3-15H,1-2H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-6-(4-nitrophenoxy)pyridazine?
3,4-bis(4-methoxyphenyl)-6-(4-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-(4-nitrophenoxy)pyridazine is sourced from PubChem (CID 10224533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).