5-amino-4-sulfanyl-1H-pyridazin-6-one

C4H5N3OS — CID 13001087

IUPAC5-amino-4-sulfanyl-1H-pyridazin-6-one
SMILESNc1c(S)cn[nH]c1=O
InChIInChI=1S/C4H5N3OS/c5-3-2(9)1-6-7-4(3)8/h1H,(H2,5,6)(H2,7,8,9)
InChIKeyJFARUORGDOAGMX-UHFFFAOYSA-N
MW143.17 g/mol
LogP-0.36
Rot. Bonds

About 5-amino-4-sulfanyl-1H-pyridazin-6-one

5-amino-4-sulfanyl-1H-pyridazin-6-one (PubChem CID 13001087) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is 5-amino-4-sulfanyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-sulfanyl-1H-pyridazin-6-one
PubChem CID13001087
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC Name5-amino-4-sulfanyl-1H-pyridazin-6-one
SMILESNc1c(S)cn[nH]c1=O
InChIInChI=1S/C4H5N3OS/c5-3-2(9)1-6-7-4(3)8/h1H,(H2,5,6)(H2,7,8,9)
InChIKeyJFARUORGDOAGMX-UHFFFAOYSA-N
XLogP-0.36
TPSA71.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-sulfanyl-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-sulfanyl-1H-pyridazin-6-one (CID 13001087) is 5-amino-4-sulfanyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-sulfanyl-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-sulfanyl-1H-pyridazin-6-one is Nc1c(S)cn[nH]c1=O.
What is the InChIKey of 5-amino-4-sulfanyl-1H-pyridazin-6-one?
The InChIKey is JFARUORGDOAGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c5-3-2(9)1-6-7-4(3)8/h1H,(H2,5,6)(H2,7,8,9).
What are the key properties of 5-amino-4-sulfanyl-1H-pyridazin-6-one?
5-amino-4-sulfanyl-1H-pyridazin-6-one has a molecular weight of 143.17 g/mol, XLogP of -0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-sulfanyl-1H-pyridazin-6-one is sourced from PubChem (CID 13001087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).