2-phthalazin-1-ylsulfanylacetamide

C10H9N3OS — CID 722469

IUPAC2-phthalazin-1-ylsulfanylacetamide
SMILESNC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C10H9N3OS/c11-9(14)6-15-10-8-4-2-1-3-7(8)5-12-13-10/h1-5H,6H2,(H2,11,14)
InChIKeyICLILNMSRKMJCH-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.21
Rot. Bonds3

About 2-phthalazin-1-ylsulfanylacetamide

2-phthalazin-1-ylsulfanylacetamide (PubChem CID 722469) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound Name2-phthalazin-1-ylsulfanylacetamide
PubChem CID722469
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-phthalazin-1-ylsulfanylacetamide
SMILESNC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C10H9N3OS/c11-9(14)6-15-10-8-4-2-1-3-7(8)5-12-13-10/h1-5H,6H2,(H2,11,14)
InChIKeyICLILNMSRKMJCH-UHFFFAOYSA-N
XLogP1.21
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of 2-phthalazin-1-ylsulfanylacetamide (CID 722469) is 2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for 2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for 2-phthalazin-1-ylsulfanylacetamide is NC(=O)CSc1nncc2ccccc12.
What is the InChIKey of 2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is ICLILNMSRKMJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-9(14)6-15-10-8-4-2-1-3-7(8)5-12-13-10/h1-5H,6H2,(H2,11,14).
What are the key properties of 2-phthalazin-1-ylsulfanylacetamide?
2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 219.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 722469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).