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

C10H15N3OS — CID 12787592

IUPAC5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide
SMILESCc1ccc(=O)n(CCCCC(N)=S)n1
InChIInChI=1S/C10H15N3OS/c1-8-5-6-10(14)13(12-8)7-3-2-4-9(11)15/h5-6H,2-4,7H2,1H3,(H2,11,15)
InChIKeySXZMZGMMZKFXDH-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.01
Rot. Bonds5

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

5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide (PubChem CID 12787592) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide.

Molecular Properties

Compound Name5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide
PubChem CID12787592
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide
SMILESCc1ccc(=O)n(CCCCC(N)=S)n1
InChIInChI=1S/C10H15N3OS/c1-8-5-6-10(14)13(12-8)7-3-2-4-9(11)15/h5-6H,2-4,7H2,1H3,(H2,11,15)
InChIKeySXZMZGMMZKFXDH-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'}

Analyze 5-(3-methyl-6-oxopyridazin-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide?
The IUPAC name of 5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide (CID 12787592) is 5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide.
What is the SMILES notation for 5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide?
The canonical SMILES for 5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide is Cc1ccc(=O)n(CCCCC(N)=S)n1.
What is the InChIKey of 5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide?
The InChIKey is SXZMZGMMZKFXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-5-6-10(14)13(12-8)7-3-2-4-9(11)15/h5-6H,2-4,7H2,1H3,(H2,11,15).
What are the key properties of 5-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide?
5-(3-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-(3-methyl-6-oxopyridazin-1-yl)pentanethioamide is sourced from PubChem (CID 12787592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).