3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline

C19H16N4O2 — CID 14294309

IUPAC3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline
SMILESCOc1c(-c2ccccc2)nc2ccc(Oc3cccc(N)c3)nn12
InChIInChI=1S/C19H16N4O2/c1-24-19-18(13-6-3-2-4-7-13)21-16-10-11-17(22-23(16)19)25-15-9-5-8-14(20)12-15/h2-12H,20H2,1H3
InChIKeyXBBBPZZPCWXFIU-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.78
Rot. Bonds4

About 3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline

3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline (PubChem CID 14294309) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline.

Molecular Properties

Compound Name3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline
PubChem CID14294309
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline
SMILESCOc1c(-c2ccccc2)nc2ccc(Oc3cccc(N)c3)nn12
InChIInChI=1S/C19H16N4O2/c1-24-19-18(13-6-3-2-4-7-13)21-16-10-11-17(22-23(16)19)25-15-9-5-8-14(20)12-15/h2-12H,20H2,1H3
InChIKeyXBBBPZZPCWXFIU-UHFFFAOYSA-N
XLogP3.78
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline?
The IUPAC name of 3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline (CID 14294309) is 3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline.
What is the SMILES notation for 3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline?
The canonical SMILES for 3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline is COc1c(-c2ccccc2)nc2ccc(Oc3cccc(N)c3)nn12.
What is the InChIKey of 3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline?
The InChIKey is XBBBPZZPCWXFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-19-18(13-6-3-2-4-7-13)21-16-10-11-17(22-23(16)19)25-15-9-5-8-14(20)12-15/h2-12H,20H2,1H3.
What are the key properties of 3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline?
3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline has a molecular weight of 332.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-phenylimidazo[1,2-b]pyridazin-6-yl)oxyaniline is sourced from PubChem (CID 14294309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).