2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one

C8H13N3O2 — CID 103482341

IUPAC2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one
SMILESNCCOCCn1ncccc1=O
InChIInChI=1S/C8H13N3O2/c9-3-6-13-7-5-11-8(12)2-1-4-10-11/h1-2,4H,3,5-7,9H2
InChIKeyITCJCQWRTRQUSY-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.78
Rot. Bonds5

About 2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one

2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one (PubChem CID 103482341) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one
PubChem CID103482341
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one
SMILESNCCOCCn1ncccc1=O
InChIInChI=1S/C8H13N3O2/c9-3-6-13-7-5-11-8(12)2-1-4-10-11/h1-2,4H,3,5-7,9H2
InChIKeyITCJCQWRTRQUSY-UHFFFAOYSA-N
XLogP-0.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.78
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

Ethyl (6-oxopyridazin-1(6H)-yl)acetate
CID 45496282
2-[2-(2,2,3,3,3-Pentafluoropropoxy)ethyl]pyridazin-3-one
CID 99844147
2-(2-Methoxyethyl)pyridazin-3-one
CID 91288626
2-[2-(Morpholin-4-yl)ethyl]-2,3-dihydropyridazin-3-one
CID 126851094
2-[2-(2-Methoxyethoxy)ethyl]pyridazin-3-one
CID 141119119
morpholine;1H-pyridazin-6-one
CID 161906578
2-(2-Methoxyethyl)pyridazin-3-one;hydrochloride
CID 176084314
2-[2-(2-Butoxyethylamino)ethyl]pyridazin-3-one
CID 55126781
2-[2-(3-Ethoxypropylamino)ethyl]pyridazin-3-one
CID 62848567
2-[2-(1-Methoxypropan-2-ylamino)ethyl]pyridazin-3-one
CID 62848751
2-[2-(2-Methoxyethylamino)ethyl]pyridazin-3-one
CID 62849093
2-[3-(2-Methoxyethylamino)propyl]pyridazin-3-one
CID 62849446

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one (CID 103482341) is 2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one is NCCOCCn1ncccc1=O.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one?
The InChIKey is ITCJCQWRTRQUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-3-6-13-7-5-11-8(12)2-1-4-10-11/h1-2,4H,3,5-7,9H2.
What are the key properties of 2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one?
2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103482341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).