3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine

C8H12IN3O — CID 134601342

IUPAC3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine
SMILESCNCCCOc1ccc(I)nn1
InChIInChI=1S/C8H12IN3O/c1-10-5-2-6-13-8-4-3-7(9)11-12-8/h3-4,10H,2,5-6H2,1H3
InChIKeyYTTGENWGQRRWQJ-UHFFFAOYSA-N
MW293.11 g/mol
LogP1.07
Rot. Bonds5

About 3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine

3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine (PubChem CID 134601342) has the molecular formula C8H12IN3O and a molecular weight of 293.11 g/mol. Its IUPAC name is 3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine
PubChem CID134601342
Molecular FormulaC8H12IN3O
Molecular Weight293.11 g/mol
Exact Mass293.00
IUPAC Name3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine
SMILESCNCCCOc1ccc(I)nn1
InChIInChI=1S/C8H12IN3O/c1-10-5-2-6-13-8-4-3-7(9)11-12-8/h3-4,10H,2,5-6H2,1H3
InChIKeyYTTGENWGQRRWQJ-UHFFFAOYSA-N
XLogP1.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methoxy-2-pyridinyl)oxy]-N-methylethanamine
CID 106504848
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-methyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propan-1-amine
CID 145274926
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
3-ethoxy-6-propoxypyridazine
CID 163526291
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine
CID 117231271
N-methyl-4-pyridin-4-yloxybutan-1-amine
CID 174683460
5-[3-(methylamino)propoxy]pyrimidin-2-amine
CID 117231268
1-(6-but-3-enoxypyridazin-3-yl)-N-methylmethanamine
CID 62289698

Frequently Asked Questions

What is the IUPAC name of 3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine?
The IUPAC name of 3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine (CID 134601342) is 3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine?
The canonical SMILES for 3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine is CNCCCOc1ccc(I)nn1.
What is the InChIKey of 3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine?
The InChIKey is YTTGENWGQRRWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O/c1-10-5-2-6-13-8-4-3-7(9)11-12-8/h3-4,10H,2,5-6H2,1H3.
What are the key properties of 3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine?
3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine has a molecular weight of 293.11 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-iodopyridazin-3-yl)oxy-N-methylpropan-1-amine is sourced from PubChem (CID 134601342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).