2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one

C14H19ClN4OS — CID 114397633

IUPAC2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCNCc2ccc(Cl)s2)c(=O)c1
InChIInChI=1S/C14H19ClN4OS/c1-3-18(2)11-8-14(20)19(17-9-11)7-6-16-10-12-4-5-13(15)21-12/h4-5,8-9,16H,3,6-7,10H2,1-2H3
InChIKeyGGHIITGUKRLLJB-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.20
Rot. Bonds7

About 2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one

2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114397633) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114397633
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCNCc2ccc(Cl)s2)c(=O)c1
InChIInChI=1S/C14H19ClN4OS/c1-3-18(2)11-8-14(20)19(17-9-11)7-6-16-10-12-4-5-13(15)21-12/h4-5,8-9,16H,3,6-7,10H2,1-2H3
InChIKeyGGHIITGUKRLLJB-UHFFFAOYSA-N
XLogP2.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.20
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

2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397656
2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397748
5-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62564856
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393589
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132
2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393582
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114397633) is 2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CCNCc2ccc(Cl)s2)c(=O)c1.
What is the InChIKey of 2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is GGHIITGUKRLLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c1-3-18(2)11-8-14(20)19(17-9-11)7-6-16-10-12-4-5-13(15)21-12/h4-5,8-9,16H,3,6-7,10H2,1-2H3.
What are the key properties of 2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 326.85 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114397633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).