2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol

C11H17IN4O — CID 134406405

IUPAC2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol
SMILESCC(CO)N1CCN(c2ccc(I)nn2)CC1
InChIInChI=1S/C11H17IN4O/c1-9(8-17)15-4-6-16(7-5-15)11-3-2-10(12)13-14-11/h2-3,9,17H,4-8H2,1H3
InChIKeyYZKKHFVKVRVTGS-UHFFFAOYSA-N
MW348.19 g/mol
LogP0.58
Rot. Bonds3

About 2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol

2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol (PubChem CID 134406405) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is 2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol
PubChem CID134406405
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC Name2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol
SMILESCC(CO)N1CCN(c2ccc(I)nn2)CC1
InChIInChI=1S/C11H17IN4O/c1-9(8-17)15-4-6-16(7-5-15)11-3-2-10(12)13-14-11/h2-3,9,17H,4-8H2,1H3
InChIKeyYZKKHFVKVRVTGS-UHFFFAOYSA-N
XLogP0.58
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol
CID 134595600
2-[4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-diazepan-1-yl]propan-1-ol
CID 154757747
2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol
CID 59343369
3-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 20823118
2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 89227148
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
methanol;2-pyrrolidin-1-ylpropan-1-ol
CID 172620475
3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 58006735
ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile
CID 145197896
N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62282587
tert-butyl 4-(6-iodopyridazin-3-yl)piperazine-1-carboxylate;3-chloro-6-iodopyridazine
CID 161346110
3-fluoro-4-[4-[(2R)-1-hydroxypropan-2-yl]-1,4-diazepan-1-yl]benzonitrile
CID 124887702

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol (CID 134406405) is 2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol is CC(CO)N1CCN(c2ccc(I)nn2)CC1.
What is the InChIKey of 2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is YZKKHFVKVRVTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O/c1-9(8-17)15-4-6-16(7-5-15)11-3-2-10(12)13-14-11/h2-3,9,17H,4-8H2,1H3.
What are the key properties of 2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol?
2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 348.19 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 134406405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).