5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one

C12H18N2OS — CID 106549190

IUPAC5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
SMILESCc1cnn(CC2(CS)CCCC2)c(=O)c1
InChIInChI=1S/C12H18N2OS/c1-10-6-11(15)14(13-7-10)8-12(9-16)4-2-3-5-12/h6-7,16H,2-5,8-9H2,1H3
InChIKeyTURZUPQCXKJVPT-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.04
Rot. Bonds3

About 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one

5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one (PubChem CID 106549190) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
PubChem CID106549190
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
SMILESCc1cnn(CC2(CS)CCCC2)c(=O)c1
InChIInChI=1S/C12H18N2OS/c1-10-6-11(15)14(13-7-10)8-12(9-16)4-2-3-5-12/h6-7,16H,2-5,8-9H2,1H3
InChIKeyTURZUPQCXKJVPT-UHFFFAOYSA-N
XLogP2.04
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one 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

2-[[1-(Sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
CID 80022016
2-[2-Propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one
CID 80022112
2-[2-Ethyl-2-(sulfanylmethyl)butyl]pyridazin-3-one
CID 80022115
2-[[1-(Bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one
CID 106548481
2,2-Dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide
CID 106548724
5-Methyl-2-[[1-(sulfanylmethyl)cyclobutyl]methyl]pyridazin-3-one
CID 106549183
2-[3,3-Dimethyl-2-(sulfanylmethyl)butyl]-5-methylpyridazin-3-one
CID 106549184
5-Methyl-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
CID 106549186
5-Methyl-2-[2-(sulfanylmethyl)pentyl]pyridazin-3-one
CID 106549188
2-[2-Ethyl-2-(sulfanylmethyl)butyl]-5-methylpyridazin-3-one
CID 106549189
5-Methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one
CID 106549191
5-Methyl-2-(9-sulfanylnonyl)pyridazin-3-one
CID 106549193

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one (CID 106549190) is 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one is Cc1cnn(CC2(CS)CCCC2)c(=O)c1.
What is the InChIKey of 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
The InChIKey is TURZUPQCXKJVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10-6-11(15)14(13-7-10)8-12(9-16)4-2-3-5-12/h6-7,16H,2-5,8-9H2,1H3.
What are the key properties of 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one has a molecular weight of 238.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one is sourced from PubChem (CID 106549190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).