2-(2-aminooxyethyl)-5-methylpyridazin-3-one

C7H11N3O2 — CID 131207528

IUPAC2-(2-aminooxyethyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCON)c(=O)c1
InChIInChI=1S/C7H11N3O2/c1-6-4-7(11)10(9-5-6)2-3-12-8/h4-5H,2-3,8H2,1H3
InChIKeyUTSCDBRBJPSWJB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.56
Rot. Bonds3

About 2-(2-aminooxyethyl)-5-methylpyridazin-3-one

2-(2-aminooxyethyl)-5-methylpyridazin-3-one (PubChem CID 131207528) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-aminooxyethyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminooxyethyl)-5-methylpyridazin-3-one
PubChem CID131207528
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(2-aminooxyethyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCON)c(=O)c1
InChIInChI=1S/C7H11N3O2/c1-6-4-7(11)10(9-5-6)2-3-12-8/h4-5H,2-3,8H2,1H3
InChIKeyUTSCDBRBJPSWJB-UHFFFAOYSA-N
XLogP-0.56
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-(4-aminobutyl)-5-methylpyridazin-3-one
CID 106548370
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 154754926
2-[2-(4-bromophenoxy)ethyl]-5-methylpyridazin-3-one
CID 106548893
2-(3-hydroxybutyl)-5-methylpyridazin-3-one
CID 106548855
3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548665
2-[2-(4-methyl-6-oxopyridazin-1-yl)ethoxy]benzenecarbothioamide
CID 106548705
2-[3-(3-aminophenoxy)propyl]-5-methylpyridazin-3-one
CID 106548303
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 106548755
5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one
CID 106548736
5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
CID 106549124

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(2-aminooxyethyl)-5-methylpyridazin-3-one (CID 131207528) is 2-(2-aminooxyethyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminooxyethyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(2-aminooxyethyl)-5-methylpyridazin-3-one is Cc1cnn(CCON)c(=O)c1.
What is the InChIKey of 2-(2-aminooxyethyl)-5-methylpyridazin-3-one?
The InChIKey is UTSCDBRBJPSWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-6-4-7(11)10(9-5-6)2-3-12-8/h4-5H,2-3,8H2,1H3.
What are the key properties of 2-(2-aminooxyethyl)-5-methylpyridazin-3-one?
2-(2-aminooxyethyl)-5-methylpyridazin-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 131207528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).