3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine

C14H10N4O — CID 90317489

IUPAC3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESNc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C14H10N4O/c15-13-5-6-14-16-8-10(18(14)17-13)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H2,15,17)
InChIKeyMKOWCWMWBRVZHT-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.72
Rot. Bonds1

About 3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine

3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 90317489) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID90317489
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESNc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C14H10N4O/c15-13-5-6-14-16-8-10(18(14)17-13)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H2,15,17)
InChIKeyMKOWCWMWBRVZHT-UHFFFAOYSA-N
XLogP2.72
TPSA69.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
CID 129171531
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
CID 71295127
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexan-1-amine
CID 78091697
3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine
CID 71744577
1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyhexan-2-amine
CID 71468696
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181
(1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol
CID 71014853
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol
CID 71077227
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine
CID 144548770
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine
CID 71295129

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 90317489) is 3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine is Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of 3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is MKOWCWMWBRVZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-13-5-6-14-16-8-10(18(14)17-13)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H2,15,17).
What are the key properties of 3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 250.26 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90317489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).