3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide

C10H16N4S — CID 106549306

IUPAC3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide
SMILESCc1cnnc(N(C)C(C)CC(N)=S)c1
InChIInChI=1S/C10H16N4S/c1-7-4-10(13-12-6-7)14(3)8(2)5-9(11)15/h4,6,8H,5H2,1-3H3,(H2,11,15)
InChIKeyBPONPJAVFPYZQO-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.29
Rot. Bonds4

About 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide

3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide (PubChem CID 106549306) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide.

Molecular Properties

Compound Name3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide
PubChem CID106549306
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide
SMILESCc1cnnc(N(C)C(C)CC(N)=S)c1
InChIInChI=1S/C10H16N4S/c1-7-4-10(13-12-6-7)14(3)8(2)5-9(11)15/h4,6,8H,5H2,1-3H3,(H2,11,15)
InChIKeyBPONPJAVFPYZQO-UHFFFAOYSA-N
XLogP1.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide 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-[(5-methylpyridazin-3-yl)-propan-2-ylamino]propanethioamide
CID 106549301
3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide
CID 106549298
ethyl 6-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 55173955
3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanethioamide
CID 136973209
3-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]butanethioamide
CID 64830447
3-[methyl(pyridin-4-yl)amino]butanethioamide
CID 63223974
3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 106549390
2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 106550364
3-[[methyl-(5-methylpyridazin-3-yl)amino]methyl]benzenecarbothioamide
CID 106549304
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]butanethioamide
CID 106795818
3-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]butanethioamide
CID 106875298
6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile
CID 131124292

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide?
The IUPAC name of 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide (CID 106549306) is 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide.
What is the SMILES notation for 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide?
The canonical SMILES for 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide is Cc1cnnc(N(C)C(C)CC(N)=S)c1.
What is the InChIKey of 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide?
The InChIKey is BPONPJAVFPYZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-4-10(13-12-6-7)14(3)8(2)5-9(11)15/h4,6,8H,5H2,1-3H3,(H2,11,15).
What are the key properties of 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide?
3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide has a molecular weight of 224.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide is sourced from PubChem (CID 106549306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).