2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one

C11H15N5OS — CID 82442747

IUPAC2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one
SMILESCCn1nc(C)cc(-c2n[nH]c(=S)n2CC)c1=O
InChIInChI=1S/C11H15N5OS/c1-4-15-9(12-13-11(15)18)8-6-7(3)14-16(5-2)10(8)17/h6H,4-5H2,1-3H3,(H,13,18)
InChIKeyHTJCBULMYHEHNI-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.51
Rot. Bonds3

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

2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one (PubChem CID 82442747) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one
PubChem CID82442747
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one
SMILESCCn1nc(C)cc(-c2n[nH]c(=S)n2CC)c1=O
InChIInChI=1S/C11H15N5OS/c1-4-15-9(12-13-11(15)18)8-6-7(3)14-16(5-2)10(8)17/h6H,4-5H2,1-3H3,(H,13,18)
InChIKeyHTJCBULMYHEHNI-UHFFFAOYSA-N
XLogP1.51
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one with MolForge

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Related Compounds

2-ethyl-6-methyl-4-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442748
2-ethyl-6-propan-2-yl-4-(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82443229
3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-propylpyridin-2-one
CID 82526969
3-(2-ethyl-5-methylpyrazol-3-yl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione
CID 115391298
3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 5144745
5-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-propan-2-yl-1H-pyridazin-6-one
CID 82443081
3-(2,8-dimethylquinolin-4-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 82447844
4-ethyl-3-(3-hydroxynaphthalen-2-yl)-1H-1,2,4-triazole-5-thione
CID 860814
4-ethyl-3-[3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-thione
CID 57386483
2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82442720
4-ethyl-3-(3-hydroxy-2-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 82828906
3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 107122545

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one?
The IUPAC name of 2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one (CID 82442747) is 2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one is CCn1nc(C)cc(-c2n[nH]c(=S)n2CC)c1=O.
What is the InChIKey of 2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one?
The InChIKey is HTJCBULMYHEHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-4-15-9(12-13-11(15)18)8-6-7(3)14-16(5-2)10(8)17/h6H,4-5H2,1-3H3,(H,13,18).
What are the key properties of 2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one?
2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one has a molecular weight of 265.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methylpyridazin-3-one is sourced from PubChem (CID 82442747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).