5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide

C10H15N3OS — CID 106548716

IUPAC5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide
SMILESCc1cnn(CCCCC(N)=S)c(=O)c1
InChIInChI=1S/C10H15N3OS/c1-8-6-10(14)13(12-7-8)5-3-2-4-9(11)15/h6-7H,2-5H2,1H3,(H2,11,15)
InChIKeyFOTRBQMCRIXIDO-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.01
Rot. Bonds5

About 5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide

5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide (PubChem CID 106548716) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide.

Molecular Properties

Compound Name5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide
PubChem CID106548716
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide
SMILESCc1cnn(CCCCC(N)=S)c(=O)c1
InChIInChI=1S/C10H15N3OS/c1-8-6-10(14)13(12-7-8)5-3-2-4-9(11)15/h6-7H,2-5H2,1H3,(H2,11,15)
InChIKeyFOTRBQMCRIXIDO-UHFFFAOYSA-N
XLogP1.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-Methyl-3-(6-oxopyridazin-1-yl)propanethioamide
CID 12787573
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanethioamide
CID 106548702
5-(6-Oxopyridazin-1-yl)pentanethioamide
CID 62849428
4-(6-Oxopyridazin-1-yl)butanethioamide
CID 62851195
2-(4-Aminobutyl)-5-methylpyridazin-3-one
CID 106548370
2-(5-Aminopentyl)-5-methylpyridazin-3-one
CID 106548374
2-(5-Aminohexyl)-5-methylpyridazin-3-one
CID 106548503
5-Methyl-2-[4-(propylamino)pentyl]pyridazin-3-one
CID 106548504
2-[4-(Ethylamino)pentyl]-5-methylpyridazin-3-one
CID 106548568
2-(4-Aminopentyl)-5-methylpyridazin-3-one
CID 106548569
5-Methyl-2-[4-(methylamino)pentyl]pyridazin-3-one
CID 106548602
2-(4-Methyl-6-oxopyridazin-1-yl)ethanethioamide
CID 106548704

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide?
The IUPAC name of 5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide (CID 106548716) is 5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide.
What is the SMILES notation for 5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide?
The canonical SMILES for 5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide is Cc1cnn(CCCCC(N)=S)c(=O)c1.
What is the InChIKey of 5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide?
The InChIKey is FOTRBQMCRIXIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-6-10(14)13(12-7-8)5-3-2-4-9(11)15/h6-7H,2-5H2,1H3,(H2,11,15).
What are the key properties of 5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide?
5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide has a molecular weight of 225.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide is sourced from PubChem (CID 106548716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).