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

C9H15N3O2 — CID 103482344

IUPAC2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCOCCN)n1
InChIInChI=1S/C9H15N3O2/c1-8-2-3-9(13)12(11-8)5-7-14-6-4-10/h2-3H,4-7,10H2,1H3
InChIKeyCLEIZNXCWLIBBF-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.47
Rot. Bonds5

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

2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one (PubChem CID 103482344) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one
PubChem CID103482344
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCOCCN)n1
InChIInChI=1S/C9H15N3O2/c1-8-2-3-9(13)12(11-8)5-7-14-6-4-10/h2-3H,4-7,10H2,1H3
InChIKeyCLEIZNXCWLIBBF-UHFFFAOYSA-N
XLogP-0.47
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.47
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-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one (CID 103482344) is 2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCOCCN)n1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one?
The InChIKey is CLEIZNXCWLIBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-8-2-3-9(13)12(11-8)5-7-14-6-4-10/h2-3H,4-7,10H2,1H3.
What are the key properties of 2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one?
2-[2-(2-aminoethoxy)ethyl]-6-methylpyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.47, 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]-6-methylpyridazin-3-one is sourced from PubChem (CID 103482344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).