2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one

C8H12N2OS — CID 82442720

IUPAC2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one
SMILESCCn1nc(C)cc(CS)c1=O
InChIInChI=1S/C8H12N2OS/c1-3-10-8(11)7(5-12)4-6(2)9-10/h4,12H,3,5H2,1-2H3
InChIKeyCUBNZESVSQHVEZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.00
Rot. Bonds2

About 2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one

2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one (PubChem CID 82442720) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one
PubChem CID82442720
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one
SMILESCCn1nc(C)cc(CS)c1=O
InChIInChI=1S/C8H12N2OS/c1-3-10-8(11)7(5-12)4-6(2)9-10/h4,12H,3,5H2,1-2H3
InChIKeyCUBNZESVSQHVEZ-UHFFFAOYSA-N
XLogP1.00
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 82442699
4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775
1-ethyl-3,5-dimethylpyrazole
CID 565993
2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one
CID 82442747
1-ethyl-5-fluoro-3-methylpyrazole
CID 119056206
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
6-chloro-2-ethyl-5-methylpyridazin-3-one
CID 165172488
2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924
6-(2,4-dimethylphenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446675
2-ethyl-6-methyl-4-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442748
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82442860

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one (CID 82442720) is 2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one is CCn1nc(C)cc(CS)c1=O.
What is the InChIKey of 2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one?
The InChIKey is CUBNZESVSQHVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-10-8(11)7(5-12)4-6(2)9-10/h4,12H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one?
2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one has a molecular weight of 184.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one is sourced from PubChem (CID 82442720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).