pyridazin-3-ylsulfanylmethanamine

C5H7N3S — CID 175125589

IUPACpyridazin-3-ylsulfanylmethanamine
SMILESNCSc1cccnn1
InChIInChI=1S/C5H7N3S/c6-4-9-5-2-1-3-7-8-5/h1-3H,4,6H2
InChIKeyUQRQHUOUBUXULD-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.48
Rot. Bonds2

About pyridazin-3-ylsulfanylmethanamine

pyridazin-3-ylsulfanylmethanamine (PubChem CID 175125589) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is pyridazin-3-ylsulfanylmethanamine.

Molecular Properties

Compound Namepyridazin-3-ylsulfanylmethanamine
PubChem CID175125589
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Namepyridazin-3-ylsulfanylmethanamine
SMILESNCSc1cccnn1
InChIInChI=1S/C5H7N3S/c6-4-9-5-2-1-3-7-8-5/h1-3H,4,6H2
InChIKeyUQRQHUOUBUXULD-UHFFFAOYSA-N
XLogP0.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridazin-3-ylsulfanylmethanamine?
The IUPAC name of pyridazin-3-ylsulfanylmethanamine (CID 175125589) is pyridazin-3-ylsulfanylmethanamine.
What is the SMILES notation for pyridazin-3-ylsulfanylmethanamine?
The canonical SMILES for pyridazin-3-ylsulfanylmethanamine is NCSc1cccnn1.
What is the InChIKey of pyridazin-3-ylsulfanylmethanamine?
The InChIKey is UQRQHUOUBUXULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c6-4-9-5-2-1-3-7-8-5/h1-3H,4,6H2.
What are the key properties of pyridazin-3-ylsulfanylmethanamine?
pyridazin-3-ylsulfanylmethanamine has a molecular weight of 141.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-3-ylsulfanylmethanamine is sourced from PubChem (CID 175125589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).