2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide

C12H10N4O3S — CID 7205900

IUPAC2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESNC(=O)CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1
InChIInChI=1S/C12H10N4O3S/c13-11(17)7-20-12-5-4-10(14-15-12)8-2-1-3-9(6-8)16(18)19/h1-6H,7H2,(H2,13,17)
InChIKeyINGVEQJYYBHIIJ-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.63
Rot. Bonds5

About 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide

2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7205900) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7205900
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESNC(=O)CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1
InChIInChI=1S/C12H10N4O3S/c13-11(17)7-20-12-5-4-10(14-15-12)8-2-1-3-9(6-8)16(18)19/h1-6H,7H2,(H2,13,17)
InChIKeyINGVEQJYYBHIIJ-UHFFFAOYSA-N
XLogP1.63
TPSA112.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502695
N-(3-methyl-1,2-oxazol-5-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 45497454
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205910
N-[(4-fluorophenyl)methyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502709
N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502592
N-(furan-2-ylmethyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7254174
N-(3-fluoro-4-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8541966
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 7502877
2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7502715
N-(3-nitrophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 7222495
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 18562234
3-(3-nitrophenyl)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazine
CID 7672423

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide (CID 7205900) is 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide is NC(=O)CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1.
What is the InChIKey of 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is INGVEQJYYBHIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c13-11(17)7-20-12-5-4-10(14-15-12)8-2-1-3-9(6-8)16(18)19/h1-6H,7H2,(H2,13,17).
What are the key properties of 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide?
2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 290.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7205900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).