2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one

C11H19N3O2 — CID 62849802

IUPAC2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one
SMILESCOCCNCCCCn1ncccc1=O
InChIInChI=1S/C11H19N3O2/c1-16-10-8-12-6-2-3-9-14-11(15)5-4-7-13-14/h4-5,7,12H,2-3,6,8-10H2,1H3
InChIKeyBRWJBZQRUVYNCW-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.26
Rot. Bonds8

About 2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one

2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one (PubChem CID 62849802) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one
PubChem CID62849802
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one
SMILESCOCCNCCCCn1ncccc1=O
InChIInChI=1S/C11H19N3O2/c1-16-10-8-12-6-2-3-9-14-11(15)5-4-7-13-14/h4-5,7,12H,2-3,6,8-10H2,1H3
InChIKeyBRWJBZQRUVYNCW-UHFFFAOYSA-N
XLogP0.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.26
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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Related Compounds

N-methyl-4-(6-oxopyridazin-1-yl)butanamide
CID 88975423
2-(2-Methoxyethyl)pyridazin-3-one
CID 91288626
2-(2-Methoxyethyl)pyridazin-3-one;hydrochloride
CID 176084314
N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 30386755
1-butyl-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 44012831
1-butyl-N-(1-methoxypropan-2-yl)-6-oxopyridazine-3-carboxamide
CID 51165865
2-[2-(2-Butoxyethylamino)ethyl]pyridazin-3-one
CID 55126781
2-[2-(3-Ethoxypropylamino)ethyl]pyridazin-3-one
CID 62848567
2-[2-(Butylamino)ethyl]pyridazin-3-one
CID 62848573
2-[3-(Propylamino)butyl]pyridazin-3-one
CID 62848727
2-[2-Hydroxy-3-(methylamino)propyl]pyridazin-3-one
CID 62848729
2-[2-(1-Methoxypropan-2-ylamino)ethyl]pyridazin-3-one
CID 62848751

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one?
The IUPAC name of 2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one (CID 62849802) is 2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one is COCCNCCCCn1ncccc1=O.
What is the InChIKey of 2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one?
The InChIKey is BRWJBZQRUVYNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-16-10-8-12-6-2-3-9-14-11(15)5-4-7-13-14/h4-5,7,12H,2-3,6,8-10H2,1H3.
What are the key properties of 2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one?
2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylamino)butyl]pyridazin-3-one is sourced from PubChem (CID 62849802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).