2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one

C9H15N3O3 — CID 103482444

IUPAC2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCOCCN)n1
InChIInChI=1S/C9H15N3O3/c1-14-8-2-3-9(13)12(11-8)5-7-15-6-4-10/h2-3H,4-7,10H2,1H3
InChIKeyNDMDYUDVSXGAOH-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.77
Rot. Bonds6

About 2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one

2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one (PubChem CID 103482444) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one
PubChem CID103482444
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCOCCN)n1
InChIInChI=1S/C9H15N3O3/c1-14-8-2-3-9(13)12(11-8)5-7-15-6-4-10/h2-3H,4-7,10H2,1H3
InChIKeyNDMDYUDVSXGAOH-UHFFFAOYSA-N
XLogP-0.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-Methyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy]acetamide
CID 648077
2-Allyl-6-allyloxy-3-pyridazone
CID 12843594
6-Amino-2-(2-methoxyethyl)pyridazin-3-one
CID 82467418
[1-(2-Methoxyethyl)-6-oxopyridazin-3-yl] carbamate
CID 175376590
Trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium
CID 3380577
3(2H)-Pyridazinone, 6-[2-(diethylamino)ethoxy]-2-methyl-
CID 12015112
6-Amino-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103183110
2-[2-(2-Aminoethoxy)ethyl]pyridazin-3-one
CID 103482341
2-[2-(2-Aminoethoxy)ethyl]-6-methylpyridazin-3-one
CID 103482344
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one (CID 103482444) is 2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCOCCN)n1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one?
The InChIKey is NDMDYUDVSXGAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-14-8-2-3-9(13)12(11-8)5-7-15-6-4-10/h2-3H,4-7,10H2,1H3.
What are the key properties of 2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one?
2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one has a molecular weight of 213.24 g/mol, XLogP of -0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 103482444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).