2-(pyridazin-3-ylmethylamino)ethanol

C7H11N3O — CID 19091430

IUPAC2-(pyridazin-3-ylmethylamino)ethanol
SMILESOCCNCc1cccnn1
InChIInChI=1S/C7H11N3O/c11-5-4-8-6-7-2-1-3-9-10-7/h1-3,8,11H,4-6H2
InChIKeyZPUCOXGYIYJKON-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.44
Rot. Bonds4

About 2-(pyridazin-3-ylmethylamino)ethanol

2-(pyridazin-3-ylmethylamino)ethanol (PubChem CID 19091430) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-(pyridazin-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(pyridazin-3-ylmethylamino)ethanol
PubChem CID19091430
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-(pyridazin-3-ylmethylamino)ethanol
SMILESOCCNCc1cccnn1
InChIInChI=1S/C7H11N3O/c11-5-4-8-6-7-2-1-3-9-10-7/h1-3,8,11H,4-6H2
InChIKeyZPUCOXGYIYJKON-UHFFFAOYSA-N
XLogP-0.44
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridazin-3-ylmethylamino)ethanol?
The IUPAC name of 2-(pyridazin-3-ylmethylamino)ethanol (CID 19091430) is 2-(pyridazin-3-ylmethylamino)ethanol.
What is the SMILES notation for 2-(pyridazin-3-ylmethylamino)ethanol?
The canonical SMILES for 2-(pyridazin-3-ylmethylamino)ethanol is OCCNCc1cccnn1.
What is the InChIKey of 2-(pyridazin-3-ylmethylamino)ethanol?
The InChIKey is ZPUCOXGYIYJKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-5-4-8-6-7-2-1-3-9-10-7/h1-3,8,11H,4-6H2.
What are the key properties of 2-(pyridazin-3-ylmethylamino)ethanol?
2-(pyridazin-3-ylmethylamino)ethanol has a molecular weight of 153.19 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridazin-3-ylmethylamino)ethanol is sourced from PubChem (CID 19091430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).