3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol

C11H12N4O — CID 144888691

IUPAC3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
SMILESC#Cc1cnc2ccc(NCCCO)nn12
InChIInChI=1S/C11H12N4O/c1-2-9-8-13-11-5-4-10(14-15(9)11)12-6-3-7-16/h1,4-5,8,16H,3,6-7H2,(H,12,14)
InChIKeyRUYUCQJGMAFTEC-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.50
Rot. Bonds4

About 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol

3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol (PubChem CID 144888691) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
PubChem CID144888691
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
SMILESC#Cc1cnc2ccc(NCCCO)nn12
InChIInChI=1S/C11H12N4O/c1-2-9-8-13-11-5-4-10(14-15(9)11)12-6-3-7-16/h1,4-5,8,16H,3,6-7H2,(H,12,14)
InChIKeyRUYUCQJGMAFTEC-UHFFFAOYSA-N
XLogP0.50
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-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

3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
CID 126470569
3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
CID 25103807
3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine
CID 123669260
4-(imidazo[1,2-b]pyridazin-6-ylamino)butan-1-ol
CID 175786677
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pentan-1-ol
CID 107302564
6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine
CID 123876012
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
3-[(6-ethynylpyrimidin-4-yl)amino]propan-1-ol
CID 126848708
1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
CID 86696331
3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine
CID 90388471
6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 66940761

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol?
The IUPAC name of 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol (CID 144888691) is 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol is C#Cc1cnc2ccc(NCCCO)nn12.
What is the InChIKey of 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol?
The InChIKey is RUYUCQJGMAFTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-9-8-13-11-5-4-10(14-15(9)11)12-6-3-7-16/h1,4-5,8,16H,3,6-7H2,(H,12,14).
What are the key properties of 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol?
3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol has a molecular weight of 216.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol is sourced from PubChem (CID 144888691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).