5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one

C12H18N6O — CID 103223454

IUPAC5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
SMILESCN(CCN)c1cnn(Cc2ccn(C)n2)c(=O)c1
InChIInChI=1S/C12H18N6O/c1-16(6-4-13)11-7-12(19)18(14-8-11)9-10-3-5-17(2)15-10/h3,5,7-8H,4,6,9,13H2,1-2H3
InChIKeyZTBODLLYNFBNKV-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.58
Rot. Bonds5

About 5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one (PubChem CID 103223454) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
PubChem CID103223454
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
SMILESCN(CCN)c1cnn(Cc2ccn(C)n2)c(=O)c1
InChIInChI=1S/C12H18N6O/c1-16(6-4-13)11-7-12(19)18(14-8-11)9-10-3-5-17(2)15-10/h3,5,7-8H,4,6,9,13H2,1-2H3
InChIKeyZTBODLLYNFBNKV-UHFFFAOYSA-N
XLogP-0.58
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103223526
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-[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-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106460215
2-[(2-amino-4-chlorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393646
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
2-[(5-bromo-2-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396927
5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 103223399

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one (CID 103223454) is 5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one is CN(CCN)c1cnn(Cc2ccn(C)n2)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is ZTBODLLYNFBNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-16(6-4-13)11-7-12(19)18(14-8-11)9-10-3-5-17(2)15-10/h3,5,7-8H,4,6,9,13H2,1-2H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 262.32 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).