3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide

C10H16N4OS — CID 114395814

IUPAC3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
SMILESCCN(C)c1cnn(CCC(N)=S)c(=O)c1
InChIInChI=1S/C10H16N4OS/c1-3-13(2)8-6-10(15)14(12-7-8)5-4-9(11)16/h6-7H,3-5H2,1-2H3,(H2,11,16)
InChIKeyVVRIOORJQGUVKC-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.38
Rot. Bonds5

About 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide

3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide (PubChem CID 114395814) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide.

Molecular Properties

Compound Name3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
PubChem CID114395814
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
SMILESCCN(C)c1cnn(CCC(N)=S)c(=O)c1
InChIInChI=1S/C10H16N4OS/c1-3-13(2)8-6-10(15)14(12-7-8)5-4-9(11)16/h6-7H,3-5H2,1-2H3,(H2,11,16)
InChIKeyVVRIOORJQGUVKC-UHFFFAOYSA-N
XLogP0.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylacetamide
CID 114395821
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanethioamide
CID 114395807
N-(3-amino-3-sulfanylidenepropyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 114395786
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
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
ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 114396186

Frequently Asked Questions

What is the IUPAC name of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide?
The IUPAC name of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide (CID 114395814) is 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide.
What is the SMILES notation for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide?
The canonical SMILES for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide is CCN(C)c1cnn(CCC(N)=S)c(=O)c1.
What is the InChIKey of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide?
The InChIKey is VVRIOORJQGUVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-3-13(2)8-6-10(15)14(12-7-8)5-4-9(11)16/h6-7H,3-5H2,1-2H3,(H2,11,16).
What are the key properties of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide?
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide has a molecular weight of 240.33 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide is sourced from PubChem (CID 114395814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).