3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C19H19N5O — CID 58857835

IUPAC3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN(C)c1cccc(-c2cnc3ccc(NCc4ccco4)nn23)c1
InChIInChI=1S/C19H19N5O/c1-23(2)15-6-3-5-14(11-15)17-13-21-19-9-8-18(22-24(17)19)20-12-16-7-4-10-25-16/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyUSSSXXAZECOQTH-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.67
Rot. Bonds5

About 3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857835) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857835
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN(C)c1cccc(-c2cnc3ccc(NCc4ccco4)nn23)c1
InChIInChI=1S/C19H19N5O/c1-23(2)15-6-3-5-14(11-15)17-13-21-19-9-8-18(22-24(17)19)20-12-16-7-4-10-25-16/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyUSSSXXAZECOQTH-UHFFFAOYSA-N
XLogP3.67
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857835) is 3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is CN(C)c1cccc(-c2cnc3ccc(NCc4ccco4)nn23)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is USSSXXAZECOQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23(2)15-6-3-5-14(11-15)17-13-21-19-9-8-18(22-24(17)19)20-12-16-7-4-10-25-16/h3-11,13H,12H2,1-2H3,(H,20,22).
What are the key properties of 3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 333.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).