6-(sulfanylamino)-2H-phthalazin-1-one

C8H7N3OS — CID 134266768

IUPAC6-(sulfanylamino)-2H-phthalazin-1-one
SMILESO=c1[nH]ncc2cc(NS)ccc12
InChIInChI=1S/C8H7N3OS/c12-8-7-2-1-6(11-13)3-5(7)4-9-10-8/h1-4,11,13H,(H,10,12)
InChIKeyRONYOQJOCPTPPF-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.18
Rot. Bonds1

About 6-(sulfanylamino)-2H-phthalazin-1-one

6-(sulfanylamino)-2H-phthalazin-1-one (PubChem CID 134266768) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 6-(sulfanylamino)-2H-phthalazin-1-one.

Molecular Properties

Compound Name6-(sulfanylamino)-2H-phthalazin-1-one
PubChem CID134266768
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name6-(sulfanylamino)-2H-phthalazin-1-one
SMILESO=c1[nH]ncc2cc(NS)ccc12
InChIInChI=1S/C8H7N3OS/c12-8-7-2-1-6(11-13)3-5(7)4-9-10-8/h1-4,11,13H,(H,10,12)
InChIKeyRONYOQJOCPTPPF-UHFFFAOYSA-N
XLogP1.18
TPSA57.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(1-oxo-2H-phthalazin-6-yl)prop-2-enamide
CID 67416417
6-ethenyl-2H-phthalazin-1-one
CID 86675174
1-oxo-2H-phthalazine-6-carbonitrile
CID 162469789
6-[2-(4-chlorophenyl)ethyl]-2H-phthalazin-1-one
CID 70381673
2H-pyrido[3,4-d]pyridazin-1-one
CID 10909714
2-methyl-2-(1-oxo-2H-phthalazin-6-yl)propanenitrile
CID 90046323
6-[1,2-dihydroxy-4-(methylamino)butyl]-2H-phthalazin-1-one
CID 171890982
azane;2H-phthalazin-1-one;platinum(2+);dichloride
CID 15950509
N-[3,4-dihydroxy-4-(1-oxo-2H-phthalazin-6-yl)butyl]acetamide
CID 171883814
6-(4-aminobut-1-enyl)-2H-phthalazin-1-one
CID 170487643
2H-phthalazin-1-one;sulfuric acid
CID 158817716
phenol;2H-phthalazin-1-one
CID 175459904

Frequently Asked Questions

What is the IUPAC name of 6-(sulfanylamino)-2H-phthalazin-1-one?
The IUPAC name of 6-(sulfanylamino)-2H-phthalazin-1-one (CID 134266768) is 6-(sulfanylamino)-2H-phthalazin-1-one.
What is the SMILES notation for 6-(sulfanylamino)-2H-phthalazin-1-one?
The canonical SMILES for 6-(sulfanylamino)-2H-phthalazin-1-one is O=c1[nH]ncc2cc(NS)ccc12.
What is the InChIKey of 6-(sulfanylamino)-2H-phthalazin-1-one?
The InChIKey is RONYOQJOCPTPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c12-8-7-2-1-6(11-13)3-5(7)4-9-10-8/h1-4,11,13H,(H,10,12).
What are the key properties of 6-(sulfanylamino)-2H-phthalazin-1-one?
6-(sulfanylamino)-2H-phthalazin-1-one has a molecular weight of 193.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(sulfanylamino)-2H-phthalazin-1-one is sourced from PubChem (CID 134266768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).