2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide

C11H10N4OS — CID 6623994

IUPAC2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
SMILESNC(=O)CSc1ccc(-c2ccncc2)nn1
InChIInChI=1S/C11H10N4OS/c12-10(16)7-17-11-2-1-9(14-15-11)8-3-5-13-6-4-8/h1-6H,7H2,(H2,12,16)
InChIKeyBHKQXYNXOLKKRQ-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.12
Rot. Bonds4

About 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide

2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 6623994) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID6623994
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
SMILESNC(=O)CSc1ccc(-c2ccncc2)nn1
InChIInChI=1S/C11H10N4OS/c12-10(16)7-17-11-2-1-9(14-15-11)8-3-5-13-6-4-8/h1-6H,7H2,(H2,12,16)
InChIKeyBHKQXYNXOLKKRQ-UHFFFAOYSA-N
XLogP1.12
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide (CID 6623994) is 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide is NC(=O)CSc1ccc(-c2ccncc2)nn1.
What is the InChIKey of 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is BHKQXYNXOLKKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-10(16)7-17-11-2-1-9(14-15-11)8-3-5-13-6-4-8/h1-6H,7H2,(H2,12,16).
What are the key properties of 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 246.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 6623994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).