N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine

C5H4F3N3S — CID 170039609

IUPACN-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine
SMILESFC(F)(F)c1cnnc(NS)c1
InChIInChI=1S/C5H4F3N3S/c6-5(7,8)3-1-4(11-12)10-9-2-3/h1-2,12H,(H,10,11)
InChIKeyUNXBFXVUVBDSPS-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.75
Rot. Bonds1

About N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine

N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine (PubChem CID 170039609) has the molecular formula C5H4F3N3S and a molecular weight of 195.17 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine
PubChem CID170039609
Molecular FormulaC5H4F3N3S
Molecular Weight195.17 g/mol
Exact Mass195.01
IUPAC NameN-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine
SMILESFC(F)(F)c1cnnc(NS)c1
InChIInChI=1S/C5H4F3N3S/c6-5(7,8)3-1-4(11-12)10-9-2-3/h1-2,12H,(H,10,11)
InChIKeyUNXBFXVUVBDSPS-UHFFFAOYSA-N
XLogP1.75
TPSA37.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.75
H-Bond Donors ≤ 52
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 N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine?
The IUPAC name of N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine (CID 170039609) is N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine.
What is the SMILES notation for N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine?
The canonical SMILES for N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine is FC(F)(F)c1cnnc(NS)c1.
What is the InChIKey of N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine?
The InChIKey is UNXBFXVUVBDSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3S/c6-5(7,8)3-1-4(11-12)10-9-2-3/h1-2,12H,(H,10,11).
What are the key properties of N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine?
N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine has a molecular weight of 195.17 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine is sourced from PubChem (CID 170039609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).