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

C15H20N4O2 — CID 103223467

IUPAC5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CCOc2ccccc2)c(=O)c1
InChIInChI=1S/C15H20N4O2/c1-18(8-7-16)13-11-15(20)19(17-12-13)9-10-21-14-5-3-2-4-6-14/h2-6,11-12H,7-10,16H2,1H3
InChIKeyQFKYAPBHLCZPPT-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.72
Rot. Bonds7

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

5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one (PubChem CID 103223467) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one
PubChem CID103223467
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CCOc2ccccc2)c(=O)c1
InChIInChI=1S/C15H20N4O2/c1-18(8-7-16)13-11-15(20)19(17-12-13)9-10-21-14-5-3-2-4-6-14/h2-6,11-12H,7-10,16H2,1H3
InChIKeyQFKYAPBHLCZPPT-UHFFFAOYSA-N
XLogP0.72
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106460215
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103223454
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 103223387
5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one
CID 103223402
2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one
CID 114393508
5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223394
5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 56909974
2-(2-phenoxyethyl)pyridazin-3-one
CID 176899084
5-[2-aminoethyl(methyl)amino]-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223341

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one (CID 103223467) is 5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one is CN(CCN)c1cnn(CCOc2ccccc2)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one?
The InChIKey is QFKYAPBHLCZPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18(8-7-16)13-11-15(20)19(17-12-13)9-10-21-14-5-3-2-4-6-14/h2-6,11-12H,7-10,16H2,1H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-(2-phenoxyethyl)pyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 0.72, 7 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-phenoxyethyl)pyridazin-3-one is sourced from PubChem (CID 103223467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).