3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline

C15H17N3O2 — CID 157028728

IUPAC3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline
SMILESC=C(OCC)c1ccc(-c2cccc(N)c2OC)nn1
InChIInChI=1S/C15H17N3O2/c1-4-20-10(2)13-8-9-14(18-17-13)11-6-5-7-12(16)15(11)19-3/h5-9H,2,4,16H2,1,3H3
InChIKeyKYBRNUPGRXXESP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.74
Rot. Bonds5

About 3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline

3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline (PubChem CID 157028728) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline.

Molecular Properties

Compound Name3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline
PubChem CID157028728
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline
SMILESC=C(OCC)c1ccc(-c2cccc(N)c2OC)nn1
InChIInChI=1S/C15H17N3O2/c1-4-20-10(2)13-8-9-14(18-17-13)11-6-5-7-12(16)15(11)19-3/h5-9H,2,4,16H2,1,3H3
InChIKeyKYBRNUPGRXXESP-UHFFFAOYSA-N
XLogP2.74
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline?
The IUPAC name of 3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline (CID 157028728) is 3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline.
What is the SMILES notation for 3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline?
The canonical SMILES for 3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline is C=C(OCC)c1ccc(-c2cccc(N)c2OC)nn1.
What is the InChIKey of 3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline?
The InChIKey is KYBRNUPGRXXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-20-10(2)13-8-9-14(18-17-13)11-6-5-7-12(16)15(11)19-3/h5-9H,2,4,16H2,1,3H3.
What are the key properties of 3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline?
3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline has a molecular weight of 271.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-ethoxyethenyl)pyridazin-3-yl]-2-methoxyaniline is sourced from PubChem (CID 157028728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).