2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one

C11H17N3O2 — CID 62850694

IUPAC2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNCC1CCOC1
InChIInChI=1S/C11H17N3O2/c15-11-2-1-4-13-14(11)6-5-12-8-10-3-7-16-9-10/h1-2,4,10,12H,3,5-9H2
InChIKeyLJGKZHKXCYXHGK-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.13
Rot. Bonds5

About 2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one

2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one (PubChem CID 62850694) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one
PubChem CID62850694
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNCC1CCOC1
InChIInChI=1S/C11H17N3O2/c15-11-2-1-4-13-14(11)6-5-12-8-10-3-7-16-9-10/h1-2,4,10,12H,3,5-9H2
InChIKeyLJGKZHKXCYXHGK-UHFFFAOYSA-N
XLogP-0.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one (CID 62850694) is 2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one is O=c1cccnn1CCNCC1CCOC1.
What is the InChIKey of 2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one?
The InChIKey is LJGKZHKXCYXHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11-2-1-4-13-14(11)6-5-12-8-10-3-7-16-9-10/h1-2,4,10,12H,3,5-9H2.
What are the key properties of 2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one?
2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-ylmethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62850694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).