2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol

C15H18N4O — CID 140905478

IUPAC2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(C3=CC=CC3)n2n1
InChIInChI=1S/C15H18N4O/c1-2-12(10-20)17-14-7-8-15-16-9-13(19(15)18-14)11-5-3-4-6-11/h3-5,7-9,12,20H,2,6,10H2,1H3,(H,17,18)
InChIKeyRTAFTARGMYVNTB-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.26
Rot. Bonds5

About 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol

2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol (PubChem CID 140905478) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
PubChem CID140905478
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(C3=CC=CC3)n2n1
InChIInChI=1S/C15H18N4O/c1-2-12(10-20)17-14-7-8-15-16-9-13(19(15)18-14)11-5-3-4-6-11/h3-5,7-9,12,20H,2,6,10H2,1H3,(H,17,18)
InChIKeyRTAFTARGMYVNTB-UHFFFAOYSA-N
XLogP2.26
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
CID 170170838
2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 126473469
(2S)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434767
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777
(2S)-2-[[3-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
CID 126471944
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
CID 82104378
(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
CID 58857690
2-[5-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]acetaldehyde
CID 87623220
(2S)-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 94586923
(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 130720526
6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
CID 51681205

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The IUPAC name of 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol (CID 140905478) is 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol is CCC(CO)Nc1ccc2ncc(C3=CC=CC3)n2n1.
What is the InChIKey of 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The InChIKey is RTAFTARGMYVNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-12(10-20)17-14-7-8-15-16-9-13(19(15)18-14)11-5-3-4-6-11/h3-5,7-9,12,20H,2,6,10H2,1H3,(H,17,18).
What are the key properties of 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol has a molecular weight of 270.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol is sourced from PubChem (CID 140905478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).