2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one

C8H9N5OS — CID 82442203

IUPAC2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one
SMILESCCn1nc(-c2nc(=S)[nH][nH]2)ccc1=O
InChIInChI=1S/C8H9N5OS/c1-2-13-6(14)4-3-5(12-13)7-9-8(15)11-10-7/h3-4H,2H2,1H3,(H2,9,10,11,15)
InChIKeyMWJICAIYMUCSBC-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.71
Rot. Bonds2

About 2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one

2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one (PubChem CID 82442203) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one
PubChem CID82442203
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one
SMILESCCn1nc(-c2nc(=S)[nH][nH]2)ccc1=O
InChIInChI=1S/C8H9N5OS/c1-2-13-6(14)4-3-5(12-13)7-9-8(15)11-10-7/h3-4H,2H2,1H3,(H2,9,10,11,15)
InChIKeyMWJICAIYMUCSBC-UHFFFAOYSA-N
XLogP0.71
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442204
6-(4-aminophenyl)-2-ethylpyridazin-3-one
CID 82105433
ethene;2-ethyl-6-methylpyridazin-3-one
CID 159533733
4-(1-ethyl-6-oxopyridazin-3-yl)benzonitrile
CID 82105450
6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one
CID 82442212
2-methyl-6-(4-methylphenyl)-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82443821
2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one
CID 82105419
6-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442503
3-(1-ethyl-6-oxopyridazin-3-yl)benzonitrile
CID 82105447
2-(2-methylpropyl)-6-(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442359
6-tert-butyl-2-(2-methylpropyl)-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82443668
2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid
CID 82442174

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one (CID 82442203) is 2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one is CCn1nc(-c2nc(=S)[nH][nH]2)ccc1=O.
What is the InChIKey of 2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one?
The InChIKey is MWJICAIYMUCSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-2-13-6(14)4-3-5(12-13)7-9-8(15)11-10-7/h3-4H,2H2,1H3,(H2,9,10,11,15).
What are the key properties of 2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one?
2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one has a molecular weight of 223.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one is sourced from PubChem (CID 82442203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).