5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one

C14H20N4OS — CID 114397467

IUPAC5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one
SMILESCc1ccsc1CNCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H20N4OS/c1-11-4-7-20-13(11)10-15-5-6-18-14(19)8-12(9-16-18)17(2)3/h4,7-9,15H,5-6,10H2,1-3H3
InChIKeyZGAYUPXXMYWWKR-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.47
Rot. Bonds6

About 5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one (PubChem CID 114397467) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one
PubChem CID114397467
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one
SMILESCc1ccsc1CNCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H20N4OS/c1-11-4-7-20-13(11)10-15-5-6-18-14(19)8-12(9-16-18)17(2)3/h4,7-9,15H,5-6,10H2,1-3H3
InChIKeyZGAYUPXXMYWWKR-UHFFFAOYSA-N
XLogP1.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.47
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

5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 55088230
2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114393487
2-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114396336
2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397633
1-methyl-4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyrazine-2,3-dione
CID 62927371
5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397471
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
CID 28871573
2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397748
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one (CID 114397467) is 5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one is Cc1ccsc1CNCCn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one?
The InChIKey is ZGAYUPXXMYWWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-11-4-7-20-13(11)10-15-5-6-18-14(19)8-12(9-16-18)17(2)3/h4,7-9,15H,5-6,10H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one has a molecular weight of 292.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one is sourced from PubChem (CID 114397467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).