(4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate

C11H10N4O2S — CID 175827959

IUPAC(4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate
SMILESCCC(=O)On1ncc(-c2cccnn2)cc1=S
InChIInChI=1S/C11H10N4O2S/c1-2-11(16)17-15-10(18)6-8(7-13-15)9-4-3-5-12-14-9/h3-7H,2H2,1H3
InChIKeyFDZWMVKRJQWYDG-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.43
Rot. Bonds3

About (4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate

(4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate (PubChem CID 175827959) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is (4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate.

Molecular Properties

Compound Name(4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate
PubChem CID175827959
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name(4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate
SMILESCCC(=O)On1ncc(-c2cccnn2)cc1=S
InChIInChI=1S/C11H10N4O2S/c1-2-11(16)17-15-10(18)6-8(7-13-15)9-4-3-5-12-14-9/h3-7H,2H2,1H3
InChIKeyFDZWMVKRJQWYDG-UHFFFAOYSA-N
XLogP1.43
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-pyridazin-3-yl-1H-pyridazine-6-thione
CID 156807954
methyl 3-(4-pyridazin-3-ylpyridazin-1-ium-1-yl)propanoate;2,2,2-trifluoroacetate
CID 162312789
aziridin-1-yl propanoate;carbamic acid;pyridine
CID 172801378
2-pyridazin-3-ylbenzoic acid
CID 68896224
(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid
CID 172530060
ethyl 3-oxo-3-pyridazin-3-ylpropanoate
CID 21327997
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide
CID 118560768
1-benzyl-5-pyridazin-3-ylindazole
CID 173219468
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147027857
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine
CID 57057112
ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate
CID 163789678
methyl 2-iodo-5-pyridazin-3-ylthiophene-3-carboxylate
CID 147757838

Frequently Asked Questions

What is the IUPAC name of (4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate?
The IUPAC name of (4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate (CID 175827959) is (4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate.
What is the SMILES notation for (4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate?
The canonical SMILES for (4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate is CCC(=O)On1ncc(-c2cccnn2)cc1=S.
What is the InChIKey of (4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate?
The InChIKey is FDZWMVKRJQWYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-2-11(16)17-15-10(18)6-8(7-13-15)9-4-3-5-12-14-9/h3-7H,2H2,1H3.
What are the key properties of (4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate?
(4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate has a molecular weight of 262.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridazin-3-yl-6-sulfanylidenepyridazin-1-yl) propanoate is sourced from PubChem (CID 175827959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).