5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide

C10H15N3O2S — CID 105061807

IUPAC5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide
SMILESCOc1ccc(=O)n(CCCCC(N)=S)n1
InChIInChI=1S/C10H15N3O2S/c1-15-9-5-6-10(14)13(12-9)7-3-2-4-8(11)16/h5-6H,2-4,7H2,1H3,(H2,11,16)
InChIKeySPDOGJHWNHRZSX-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.71
Rot. Bonds6

About 5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide

5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide (PubChem CID 105061807) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide.

Molecular Properties

Compound Name5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide
PubChem CID105061807
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide
SMILESCOc1ccc(=O)n(CCCCC(N)=S)n1
InChIInChI=1S/C10H15N3O2S/c1-15-9-5-6-10(14)13(12-9)7-3-2-4-8(11)16/h5-6H,2-4,7H2,1H3,(H2,11,16)
InChIKeySPDOGJHWNHRZSX-UHFFFAOYSA-N
XLogP0.71
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-Trifluoro-2-[(3-methoxy-6-oxopyridazin-1-yl)methyl]propanethioamide
CID 103369009
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(5-Aminopentyl)-6-methoxypyridazin-3-one
CID 105061512
2-(5-Aminohexyl)-6-methoxypyridazin-3-one
CID 105061623
2-(4-Aminopentyl)-6-methoxypyridazin-3-one
CID 105061712
6-Methoxy-2-[4-(methylamino)pentyl]pyridazin-3-one
CID 105061732
3-(3-Methoxy-6-oxopyridazin-1-yl)propanethioamide
CID 105061798
4-(3-Methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanethioamide
CID 105061804
3-(3-Methoxy-6-oxopyridazin-1-yl)-2-methylpropanethioamide
CID 105061808
2-(3-Methoxy-6-oxopyridazin-1-yl)ethanethioamide
CID 105061810
4-(3-Methoxy-6-oxopyridazin-1-yl)butanethioamide
CID 105061816

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide?
The IUPAC name of 5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide (CID 105061807) is 5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide.
What is the SMILES notation for 5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide?
The canonical SMILES for 5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide is COc1ccc(=O)n(CCCCC(N)=S)n1.
What is the InChIKey of 5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide?
The InChIKey is SPDOGJHWNHRZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-9-5-6-10(14)13(12-9)7-3-2-4-8(11)16/h5-6H,2-4,7H2,1H3,(H2,11,16).
What are the key properties of 5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide?
5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide has a molecular weight of 241.32 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-6-oxopyridazin-1-yl)pentanethioamide is sourced from PubChem (CID 105061807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).