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

C16H18N4O2 — CID 126470569

IUPAC3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESCOc1ccccc1-c1cnc2ccc(NCCCO)nn12
InChIInChI=1S/C16H18N4O2/c1-22-14-6-3-2-5-12(14)13-11-18-16-8-7-15(19-20(13)16)17-9-4-10-21/h2-3,5-8,11,21H,4,9-10H2,1H3,(H,17,19)
InChIKeySVUAKAROEAYJRL-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.20
Rot. Bonds6

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

3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (PubChem CID 126470569) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
PubChem CID126470569
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESCOc1ccccc1-c1cnc2ccc(NCCCO)nn12
InChIInChI=1S/C16H18N4O2/c1-22-14-6-3-2-5-12(14)13-11-18-16-8-7-15(19-20(13)16)17-9-4-10-21/h2-3,5-8,11,21H,4,9-10H2,1H3,(H,17,19)
InChIKeySVUAKAROEAYJRL-UHFFFAOYSA-N
XLogP2.20
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 126471713
N-(cyclopropylmethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 126473193
3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine
CID 90388471
3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
CID 25103807
3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
CID 144888691
N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 24997044
3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857576
N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857590
4-[6-(butylamino)imidazo[1,2-b]pyridazin-3-yl]-3-fluorobenzaldehyde
CID 86696346
N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 140905268
2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 126473469
[3-[6-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126474180

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The IUPAC name of 3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (CID 126470569) is 3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is COc1ccccc1-c1cnc2ccc(NCCCO)nn12.
What is the InChIKey of 3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The InChIKey is SVUAKAROEAYJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-14-6-3-2-5-12(14)13-11-18-16-8-7-15(19-20(13)16)17-9-4-10-21/h2-3,5-8,11,21H,4,9-10H2,1H3,(H,17,19).
What are the key properties of 3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol has a molecular weight of 298.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is sourced from PubChem (CID 126470569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).