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

C15H20N4O — CID 103223402

IUPAC5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one
SMILESCc1cccc(Cn2ncc(N(C)CCN)cc2=O)c1
InChIInChI=1S/C15H20N4O/c1-12-4-3-5-13(8-12)11-19-15(20)9-14(10-17-19)18(2)7-6-16/h3-5,8-10H,6-7,11,16H2,1-2H3
InChIKeyGXOPOJNUCXEUGB-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.99
Rot. Bonds5

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

5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one (PubChem CID 103223402) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one
PubChem CID103223402
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one
SMILESCc1cccc(Cn2ncc(N(C)CCN)cc2=O)c1
InChIInChI=1S/C15H20N4O/c1-12-4-3-5-13(8-12)11-19-15(20)9-14(10-17-19)18(2)7-6-16/h3-5,8-10H,6-7,11,16H2,1-2H3
InChIKeyGXOPOJNUCXEUGB-UHFFFAOYSA-N
XLogP0.99
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223394
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-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393637
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 103223387
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-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103223526
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-methylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one (CID 103223402) is 5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one is Cc1cccc(Cn2ncc(N(C)CCN)cc2=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one?
The InChIKey is GXOPOJNUCXEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-4-3-5-13(8-12)11-19-15(20)9-14(10-17-19)18(2)7-6-16/h3-5,8-10H,6-7,11,16H2,1-2H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one has a molecular weight of 272.35 g/mol, XLogP of 0.99, 5 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-[(3-methylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).