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

C13H14N4O2 — CID 139215660

IUPAC6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine
SMILESCOc1ccc(/C=N/Nc2ccc(OC)nn2)cc1
InChIInChI=1S/C13H14N4O2/c1-18-11-5-3-10(4-6-11)9-14-15-12-7-8-13(19-2)17-16-12/h3-9H,1-2H3,(H,15,16)/b14-9+
InChIKeyZMKPHWPNVVWVTG-NTEUORMPSA-N
MW258.28 g/mol
LogP1.94
Rot. Bonds5

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

6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine (PubChem CID 139215660) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine
PubChem CID139215660
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine
SMILESCOc1ccc(/C=N/Nc2ccc(OC)nn2)cc1
InChIInChI=1S/C13H14N4O2/c1-18-11-5-3-10(4-6-11)9-14-15-12-7-8-13(19-2)17-16-12/h3-9H,1-2H3,(H,15,16)/b14-9+
InChIKeyZMKPHWPNVVWVTG-NTEUORMPSA-N
XLogP1.94
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.94
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-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine?
The IUPAC name of 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine (CID 139215660) is 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine.
What is the SMILES notation for 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine?
The canonical SMILES for 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine is COc1ccc(/C=N/Nc2ccc(OC)nn2)cc1.
What is the InChIKey of 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine?
The InChIKey is ZMKPHWPNVVWVTG-NTEUORMPSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-18-11-5-3-10(4-6-11)9-14-15-12-7-8-13(19-2)17-16-12/h3-9H,1-2H3,(H,15,16)/b14-9+.
What are the key properties of 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine?
6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine has a molecular weight of 258.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyridazin-3-amine is sourced from PubChem (CID 139215660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).