5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one

C13H18N4OS — CID 103223605

IUPAC5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one
SMILESCNCCNc1cnn(CCc2cccs2)c(=O)c1
InChIInChI=1S/C13H18N4OS/c1-14-5-6-15-11-9-13(18)17(16-10-11)7-4-12-3-2-8-19-12/h2-3,8-10,14-15H,4-7H2,1H3
InChIKeyMFMJMBBQWZHUIJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.18
Rot. Bonds7

About 5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one

5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one (PubChem CID 103223605) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one
PubChem CID103223605
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one
SMILESCNCCNc1cnn(CCc2cccs2)c(=O)c1
InChIInChI=1S/C13H18N4OS/c1-14-5-6-15-11-9-13(18)17(16-10-11)7-4-12-3-2-8-19-12/h2-3,8-10,14-15H,4-7H2,1H3
InChIKeyMFMJMBBQWZHUIJ-UHFFFAOYSA-N
XLogP1.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
CID 107067032
5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one
CID 103222731
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223734
2-[(2-bromo-3-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223694
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616
2-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223623
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
4-methyl-2-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-one
CID 86797131
2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one
CID 103220314

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one?
The IUPAC name of 5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one (CID 103223605) is 5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one is CNCCNc1cnn(CCc2cccs2)c(=O)c1.
What is the InChIKey of 5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one?
The InChIKey is MFMJMBBQWZHUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-14-5-6-15-11-9-13(18)17(16-10-11)7-4-12-3-2-8-19-12/h2-3,8-10,14-15H,4-7H2,1H3.
What are the key properties of 5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one?
5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one has a molecular weight of 278.38 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one is sourced from PubChem (CID 103223605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).