2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine

C11H17N3O — CID 106895745

IUPAC2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESc1cnnc(CNCCC2CCCO2)c1
InChIInChI=1S/C11H17N3O/c1-3-10(14-13-6-1)9-12-7-5-11-4-2-8-15-11/h1,3,6,11-12H,2,4-5,7-9H2
InChIKeyJNQIABNNIKSRMX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.14
Rot. Bonds5

About 2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine

2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895745) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895745
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESc1cnnc(CNCCC2CCCO2)c1
InChIInChI=1S/C11H17N3O/c1-3-10(14-13-6-1)9-12-7-5-11-4-2-8-15-11/h1,3,6,11-12H,2,4-5,7-9H2
InChIKeyJNQIABNNIKSRMX-UHFFFAOYSA-N
XLogP1.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
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-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895745) is 2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine is c1cnnc(CNCCC2CCCO2)c1.
What is the InChIKey of 2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is JNQIABNNIKSRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-10(14-13-6-1)9-12-7-5-11-4-2-8-15-11/h1,3,6,11-12H,2,4-5,7-9H2.
What are the key properties of 2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine?
2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).