N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide

C8H11N3OS — CID 130901261

IUPACN-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide
SMILESCc1ccc(CNC(=O)CS)nn1
InChIInChI=1S/C8H11N3OS/c1-6-2-3-7(11-10-6)4-9-8(12)5-13/h2-3,13H,4-5H2,1H3,(H,9,12)
InChIKeyOXYYWZMFLLBJHT-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.33
Rot. Bonds3

About N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide

N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide (PubChem CID 130901261) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide
PubChem CID130901261
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide
SMILESCc1ccc(CNC(=O)CS)nn1
InChIInChI=1S/C8H11N3OS/c1-6-2-3-7(11-10-6)4-9-8(12)5-13/h2-3,13H,4-5H2,1H3,(H,9,12)
InChIKeyOXYYWZMFLLBJHT-UHFFFAOYSA-N
XLogP0.33
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737862
2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737921
2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 127017343
2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737958
3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737936
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737950
3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide
CID 110737899
N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746244
N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110746243
2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide
CID 166373491
3-methyl-6-[(6-methylpyridazin-3-yl)methyl]pyridazine
CID 59592002
3-(6-methylpyridazin-3-yl)propanoic acid
CID 23008642

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide?
The IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide (CID 130901261) is N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide?
The canonical SMILES for N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide is Cc1ccc(CNC(=O)CS)nn1.
What is the InChIKey of N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide?
The InChIKey is OXYYWZMFLLBJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-6-2-3-7(11-10-6)4-9-8(12)5-13/h2-3,13H,4-5H2,1H3,(H,9,12).
What are the key properties of N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide?
N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide has a molecular weight of 197.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide is sourced from PubChem (CID 130901261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).