2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one

C11H20N4O — CID 106549081

IUPAC2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CCNCCN(C)C)c(=O)c1
InChIInChI=1S/C11H20N4O/c1-10-8-11(16)15(13-9-10)7-5-12-4-6-14(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyFNJVHBXFQWGIBS-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.30
Rot. Bonds6

About 2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one

2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one (PubChem CID 106549081) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one
PubChem CID106549081
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CCNCCN(C)C)c(=O)c1
InChIInChI=1S/C11H20N4O/c1-10-8-11(16)15(13-9-10)7-5-12-4-6-14(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyFNJVHBXFQWGIBS-UHFFFAOYSA-N
XLogP-0.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
CID 106548281
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
4-(piperazin-1-ylmethyl)-1H-pyridazin-6-one
CID 156497855
2-[2-[2-(Dimethylamino)ethylamino]ethyl]pyridazin-3-one
CID 62848921
2-[2-[2-(Diethylamino)ethylamino]ethyl]pyridazin-3-one
CID 62849090
2-[2-[3-(Dimethylamino)propylamino]ethyl]pyridazin-3-one
CID 62849091
2-[2-(2-Methylpropylamino)ethyl]pyridazin-3-one
CID 62849092
2-(2-piperazin-1-ylethyl)pyridazin-3(2H)-one
CID 62849784
2-[2-(Ethylamino)ethyl]pyridazin-3-one
CID 62850666
2-[2-(Tert-butylamino)ethyl]pyridazin-3-one
CID 62851017
5-(Dimethylamino)-2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073050

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one (CID 106549081) is 2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one is Cc1cnn(CCNCCN(C)C)c(=O)c1.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one?
The InChIKey is FNJVHBXFQWGIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10-8-11(16)15(13-9-10)7-5-12-4-6-14(2)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one?
2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one has a molecular weight of 224.31 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106549081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).