5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide

C13H20N4OS — CID 114395762

IUPAC5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide
SMILESNC(=S)CCCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C13H20N4OS/c14-12(19)5-1-2-8-17-13(18)9-11(10-15-17)16-6-3-4-7-16/h9-10H,1-8H2,(H2,14,19)
InChIKeyIYBVVQRRKFTCBZ-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.30
Rot. Bonds6

About 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide

5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide (PubChem CID 114395762) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide.

Molecular Properties

Compound Name5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide
PubChem CID114395762
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide
SMILESNC(=S)CCCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C13H20N4OS/c14-12(19)5-1-2-8-17-13(18)9-11(10-15-17)16-6-3-4-7-16/h9-10H,1-8H2,(H2,14,19)
InChIKeyIYBVVQRRKFTCBZ-UHFFFAOYSA-N
XLogP1.30
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.30
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'}

Analyze 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-Trifluoro-2-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]propanethioamide
CID 103369001
5-(dimethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819928
5-(dimethylamino)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819929
5-[ethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819938
5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819939
5-[methyl(propyl)amino]-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819942
5-[methyl(propyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819943
5-Amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103218227
5-(Methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103218504
5-(Ethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103218908
5-(Propylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103220117
2-[4-(Ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 106800588

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide?
The IUPAC name of 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide (CID 114395762) is 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide.
What is the SMILES notation for 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide?
The canonical SMILES for 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide is NC(=S)CCCCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide?
The InChIKey is IYBVVQRRKFTCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c14-12(19)5-1-2-8-17-13(18)9-11(10-15-17)16-6-3-4-7-16/h9-10H,1-8H2,(H2,14,19).
What are the key properties of 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide?
5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide has a molecular weight of 280.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanethioamide is sourced from PubChem (CID 114395762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).