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

C14H23N3OS — CID 114399038

IUPAC5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
SMILESCCN(C)c1cnn(CC2(CS)CCCC2)c(=O)c1
InChIInChI=1S/C14H23N3OS/c1-3-16(2)12-8-13(18)17(15-9-12)10-14(11-19)6-4-5-7-14/h8-9,19H,3-7,10-11H2,1-2H3
InChIKeyJQEFRTZQRXJPGP-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.19
Rot. Bonds5

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

5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one (PubChem CID 114399038) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
PubChem CID114399038
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
SMILESCCN(C)c1cnn(CC2(CS)CCCC2)c(=O)c1
InChIInChI=1S/C14H23N3OS/c1-3-16(2)12-8-13(18)17(15-9-12)10-14(11-19)6-4-5-7-14/h8-9,19H,3-7,10-11H2,1-2H3
InChIKeyJQEFRTZQRXJPGP-UHFFFAOYSA-N
XLogP2.19
TPSA38.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.19
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-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
CID 114398821
5-(diethylamino)-2-[[1-(sulfanylmethyl)cyclobutyl]methyl]pyridazin-3-one
CID 114399059
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
CID 114395928
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395697
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
5-(4-methylpiperidin-1-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399120

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one (CID 114399038) is 5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one is CCN(C)c1cnn(CC2(CS)CCCC2)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
The InChIKey is JQEFRTZQRXJPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-16(2)12-8-13(18)17(15-9-12)10-14(11-19)6-4-5-7-14/h8-9,19H,3-7,10-11H2,1-2H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one?
5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one has a molecular weight of 281.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one is sourced from PubChem (CID 114399038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).