5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

C11H18N4O — CID 103073051

IUPAC5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C11H18N4O/c1-9(6-12-2)8-15-11(16)5-10(7-13-15)14(3)4/h5,7,12H,1,6,8H2,2-4H3
InChIKeyKENTUQQJNNREEP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.08
Rot. Bonds5

About 5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103073051) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103073051
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C11H18N4O/c1-9(6-12-2)8-15-11(16)5-10(7-13-15)14(3)4/h5,7,12H,1,6,8H2,2-4H3
InChIKeyKENTUQQJNNREEP-UHFFFAOYSA-N
XLogP0.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

potassium 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746469
2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103073093
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide
CID 72893419
2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
CID 114395440
1-[2-(methylaminomethyl)prop-2-enyl]cinnolin-4-one
CID 103072007
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227
6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073142

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (CID 103073051) is 5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is C=C(CNC)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is KENTUQQJNNREEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(6-12-2)8-15-11(16)5-10(7-13-15)14(3)4/h5,7,12H,1,6,8H2,2-4H3.
What are the key properties of 5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 222.29 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).