2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one

C12H22N4O2 — CID 105062172

IUPAC2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCNCCCN(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-15(2)9-4-7-13-8-10-16-12(17)6-5-11(14-16)18-3/h5-6,13H,4,7-10H2,1-3H3
InChIKeyHISWWHYQMZRQJJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.21
Rot. Bonds8

About 2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one

2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one (PubChem CID 105062172) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one
PubChem CID105062172
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCNCCCN(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-15(2)9-4-7-13-8-10-16-12(17)6-5-11(14-16)18-3/h5-6,13H,4,7-10H2,1-3H3
InChIKeyHISWWHYQMZRQJJ-UHFFFAOYSA-N
XLogP-0.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.21
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

6-Methoxy-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 113675831
2-[2-[3-(Dimethylamino)propylamino]ethyl]pyridazin-3-one
CID 62849091
2-[2-(Aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073140
2-[2-(Ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073141
6-Methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073142
6-Methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073143
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073144
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(3-Amino-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061509
2-(5-Aminopentyl)-6-methoxypyridazin-3-one
CID 105061512

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one (CID 105062172) is 2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCNCCCN(C)C)n1.
What is the InChIKey of 2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one?
The InChIKey is HISWWHYQMZRQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-15(2)9-4-7-13-8-10-16-12(17)6-5-11(14-16)18-3/h5-6,13H,4,7-10H2,1-3H3.
What are the key properties of 2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one?
2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one has a molecular weight of 254.33 g/mol, XLogP of -0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)propylamino]ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).