5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one

C13H24N4O2 — CID 106460215

IUPAC5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
SMILESCC(C)COCCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C13H24N4O2/c1-11(2)10-19-7-6-17-13(18)8-12(9-15-17)16(3)5-4-14/h8-9,11H,4-7,10,14H2,1-3H3
InChIKeyVBRNTJKMNKLQGF-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.31
Rot. Bonds8

About 5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one (PubChem CID 106460215) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
PubChem CID106460215
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
SMILESCC(C)COCCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C13H24N4O2/c1-11(2)10-19-7-6-17-13(18)8-12(9-15-17)16(3)5-4-14/h8-9,11H,4-7,10,14H2,1-3H3
InChIKeyVBRNTJKMNKLQGF-UHFFFAOYSA-N
XLogP0.31
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.31
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-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one
CID 103223467
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 103223387
2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 106460207
5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103223454
5-[2-aminoethyl(methyl)amino]-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223341
2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393723
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396264
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one (CID 106460215) is 5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one is CC(C)COCCn1ncc(N(C)CCN)cc1=O.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The InChIKey is VBRNTJKMNKLQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-11(2)10-19-7-6-17-13(18)8-12(9-15-17)16(3)5-4-14/h8-9,11H,4-7,10,14H2,1-3H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one has a molecular weight of 268.36 g/mol, XLogP of 0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 106460215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).