3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine

C15H16N4O2 — CID 46948099

IUPAC3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCNc1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1
InChIInChI=1S/C15H16N4O2/c1-16-14-6-7-15-17-9-11(19(15)18-14)10-4-5-12(20-2)13(8-10)21-3/h4-9H,1-3H3,(H,16,18)
InChIKeyYAUDHRITCIYJEE-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.46
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine

3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 46948099) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine
PubChem CID46948099
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCNc1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1
InChIInChI=1S/C15H16N4O2/c1-16-14-6-7-15-17-9-11(19(15)18-14)10-4-5-12(20-2)13(8-10)21-3/h4-9H,1-3H3,(H,16,18)
InChIKeyYAUDHRITCIYJEE-UHFFFAOYSA-N
XLogP2.46
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine (CID 46948099) is 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine is CNc1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is YAUDHRITCIYJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-16-14-6-7-15-17-9-11(19(15)18-14)10-4-5-12(20-2)13(8-10)21-3/h4-9H,1-3H3,(H,16,18).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 284.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 46948099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).