5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one

C10H17N3OS — CID 114399061

IUPAC5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCS)c(=O)c1
InChIInChI=1S/C10H17N3OS/c1-3-12(4-2)9-7-10(14)13(5-6-15)11-8-9/h7-8,15H,3-6H2,1-2H3
InChIKeyXAVHRTYJJVDRFR-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.02
Rot. Bonds5

About 5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one

5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one (PubChem CID 114399061) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
PubChem CID114399061
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCS)c(=O)c1
InChIInChI=1S/C10H17N3OS/c1-3-12(4-2)9-7-10(14)13(5-6-15)11-8-9/h7-8,15H,3-6H2,1-2H3
InChIKeyXAVHRTYJJVDRFR-UHFFFAOYSA-N
XLogP1.02
TPSA38.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.02
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-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
CID 114399063
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
CID 114397706
2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
CID 114395707
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
5-(diethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397680
5-(diethylamino)-2-[[1-(sulfanylmethyl)cyclobutyl]methyl]pyridazin-3-one
CID 114399059
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114397665

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one (CID 114399061) is 5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one is CCN(CC)c1cnn(CCS)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one?
The InChIKey is XAVHRTYJJVDRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-12(4-2)9-7-10(14)13(5-6-15)11-8-9/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one?
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one has a molecular weight of 227.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 114399061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).