2-(6-phenylpyridazin-3-yl)sulfanylacetamide

C12H11N3OS — CID 3227982

IUPAC2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESNC(=O)CSc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C12H11N3OS/c13-11(16)8-17-12-7-6-10(14-15-12)9-4-2-1-3-5-9/h1-7H,8H2,(H2,13,16)
InChIKeyMESJHYQKMNZLTE-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.72
Rot. Bonds4

About 2-(6-phenylpyridazin-3-yl)sulfanylacetamide

2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 3227982) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID3227982
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESNC(=O)CSc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C12H11N3OS/c13-11(16)8-17-12-7-6-10(14-15-12)9-4-2-1-3-5-9/h1-7H,8H2,(H2,13,16)
InChIKeyMESJHYQKMNZLTE-UHFFFAOYSA-N
XLogP1.72
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of 2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 3227982) is 2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for 2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for 2-(6-phenylpyridazin-3-yl)sulfanylacetamide is NC(=O)CSc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is MESJHYQKMNZLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-11(16)8-17-12-7-6-10(14-15-12)9-4-2-1-3-5-9/h1-7H,8H2,(H2,13,16).
What are the key properties of 2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 245.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 3227982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).