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

C14H18N4O2 — CID 103223394

IUPAC5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
SMILESCN(CCN)c1cnn(Cc2cccc(O)c2)c(=O)c1
InChIInChI=1S/C14H18N4O2/c1-17(6-5-15)12-8-14(20)18(16-9-12)10-11-3-2-4-13(19)7-11/h2-4,7-9,19H,5-6,10,15H2,1H3
InChIKeyCCWIUQDGRGSKPY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.39
Rot. Bonds5

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

5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one (PubChem CID 103223394) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
PubChem CID103223394
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
SMILESCN(CCN)c1cnn(Cc2cccc(O)c2)c(=O)c1
InChIInChI=1S/C14H18N4O2/c1-17(6-5-15)12-8-14(20)18(16-9-12)10-11-3-2-4-13(19)7-11/h2-4,7-9,19H,5-6,10,15H2,1H3
InChIKeyCCWIUQDGRGSKPY-UHFFFAOYSA-N
XLogP0.39
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one
CID 103223402
5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one
CID 107894341
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-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183
2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393637
3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile
CID 103223517
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
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-propyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223341
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one (CID 103223394) is 5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one is CN(CCN)c1cnn(Cc2cccc(O)c2)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one?
The InChIKey is CCWIUQDGRGSKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(6-5-15)12-8-14(20)18(16-9-12)10-11-3-2-4-13(19)7-11/h2-4,7-9,19H,5-6,10,15H2,1H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one has a molecular weight of 274.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).