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

C13H21N3OS — CID 114398821

IUPAC5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC2(CS)CCCC2)c(=O)c1
InChIInChI=1S/C13H21N3OS/c1-15(2)11-7-12(17)16(14-8-11)9-13(10-18)5-3-4-6-13/h7-8,18H,3-6,9-10H2,1-2H3
InChIKeyGEOCSFFIYKAQBA-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.80
Rot. Bonds4

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

5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one (PubChem CID 114398821) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
PubChem CID114398821
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC2(CS)CCCC2)c(=O)c1
InChIInChI=1S/C13H21N3OS/c1-15(2)11-7-12(17)16(14-8-11)9-13(10-18)5-3-4-6-13/h7-8,18H,3-6,9-10H2,1-2H3
InChIKeyGEOCSFFIYKAQBA-UHFFFAOYSA-N
XLogP1.80
TPSA38.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
CID 114399038
5-(diethylamino)-2-[[1-(sulfanylmethyl)cyclobutyl]methyl]pyridazin-3-one
CID 114399059
5-(4-methylpiperidin-1-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399120
5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 114395499
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
CID 28871573
5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399199
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227
2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069
potassium 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746469
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one (CID 114398821) is 5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one is CN(C)c1cnn(CC2(CS)CCCC2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
The InChIKey is GEOCSFFIYKAQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-15(2)11-7-12(17)16(14-8-11)9-13(10-18)5-3-4-6-13/h7-8,18H,3-6,9-10H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one has a molecular weight of 267.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one is sourced from PubChem (CID 114398821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).