6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine

C19H18N4O2 — CID 127040900

IUPAC6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine
SMILESCOc1ccc(/C=N/Nc2ccc(-c3ccccc3OC)nn2)cc1
InChIInChI=1S/C19H18N4O2/c1-24-15-9-7-14(8-10-15)13-20-22-19-12-11-17(21-23-19)16-5-3-4-6-18(16)25-2/h3-13H,1-2H3,(H,22,23)/b20-13+
InChIKeyXKVYNSMMUJXXPM-DEDYPNTBSA-N
MW334.38 g/mol
LogP3.61
Rot. Bonds6

About 6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine

6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine (PubChem CID 127040900) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine
PubChem CID127040900
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine
SMILESCOc1ccc(/C=N/Nc2ccc(-c3ccccc3OC)nn2)cc1
InChIInChI=1S/C19H18N4O2/c1-24-15-9-7-14(8-10-15)13-20-22-19-12-11-17(21-23-19)16-5-3-4-6-18(16)25-2/h3-13H,1-2H3,(H,22,23)/b20-13+
InChIKeyXKVYNSMMUJXXPM-DEDYPNTBSA-N
XLogP3.61
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine (CID 127040900) is 6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine is COc1ccc(/C=N/Nc2ccc(-c3ccccc3OC)nn2)cc1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine?
The InChIKey is XKVYNSMMUJXXPM-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-24-15-9-7-14(8-10-15)13-20-22-19-12-11-17(21-23-19)16-5-3-4-6-18(16)25-2/h3-13H,1-2H3,(H,22,23)/b20-13+.
What are the key properties of 6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine?
6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine has a molecular weight of 334.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine is sourced from PubChem (CID 127040900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).