5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one

C15H28N4O — CID 103223346

IUPAC5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
SMILESCCCCCCCCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C15H28N4O/c1-3-4-5-6-7-8-10-19-15(20)12-14(13-17-19)18(2)11-9-16/h12-13H,3-11,16H2,1-2H3
InChIKeyPFDLEZLXAMAGCE-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.00
Rot. Bonds10

About 5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one (PubChem CID 103223346) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
PubChem CID103223346
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
SMILESCCCCCCCCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C15H28N4O/c1-3-4-5-6-7-8-10-19-15(20)12-14(13-17-19)18(2)11-9-16/h12-13H,3-11,16H2,1-2H3
InChIKeyPFDLEZLXAMAGCE-UHFFFAOYSA-N
XLogP2.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.00
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

2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 103223387
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-[2-aminoethyl(methyl)amino]-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223341
5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106460215
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393628
5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one
CID 103223467
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103223454
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396264
5-[2-aminoethyl(methyl)amino]-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103223526

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one (CID 103223346) is 5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one is CCCCCCCCn1ncc(N(C)CCN)cc1=O.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one?
The InChIKey is PFDLEZLXAMAGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-4-5-6-7-8-10-19-15(20)12-14(13-17-19)18(2)11-9-16/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one has a molecular weight of 280.42 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one is sourced from PubChem (CID 103223346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).