5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline

C14H14N4O — CID 52903820

IUPAC5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline
SMILESCOc1ccc2nc(-c3ccc(C)c(N)c3)cn2n1
InChIInChI=1S/C14H14N4O/c1-9-3-4-10(7-11(9)15)12-8-18-13(16-12)5-6-14(17-18)19-2/h3-8H,15H2,1-2H3
InChIKeyWYZISNYXUJFXTC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.30
Rot. Bonds2

About 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline

5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline (PubChem CID 52903820) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline
PubChem CID52903820
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline
SMILESCOc1ccc2nc(-c3ccc(C)c(N)c3)cn2n1
InChIInChI=1S/C14H14N4O/c1-9-3-4-10(7-11(9)15)12-8-18-13(16-12)5-6-14(17-18)19-2/h3-8H,15H2,1-2H3
InChIKeyWYZISNYXUJFXTC-UHFFFAOYSA-N
XLogP2.30
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline?
The IUPAC name of 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline (CID 52903820) is 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline?
The canonical SMILES for 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline is COc1ccc2nc(-c3ccc(C)c(N)c3)cn2n1.
What is the InChIKey of 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline?
The InChIKey is WYZISNYXUJFXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-3-4-10(7-11(9)15)12-8-18-13(16-12)5-6-14(17-18)19-2/h3-8H,15H2,1-2H3.
What are the key properties of 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline?
5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline has a molecular weight of 254.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline is sourced from PubChem (CID 52903820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).