4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione

C10H6F3N3S — CID 106522555

IUPAC4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione
SMILESFC(F)(F)c1ccncc1-c1cn[nH]c(=S)c1
InChIInChI=1S/C10H6F3N3S/c11-10(12,13)8-1-2-14-5-7(8)6-3-9(17)16-15-4-6/h1-5H,(H,16,17)
InChIKeyPQPCUQWVYXZVDY-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.22
Rot. Bonds1

About 4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione

4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione (PubChem CID 106522555) has the molecular formula C10H6F3N3S and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione
PubChem CID106522555
Molecular FormulaC10H6F3N3S
Molecular Weight257.24 g/mol
Exact Mass257.02
IUPAC Name4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione
SMILESFC(F)(F)c1ccncc1-c1cn[nH]c(=S)c1
InChIInChI=1S/C10H6F3N3S/c11-10(12,13)8-1-2-14-5-7(8)6-3-9(17)16-15-4-6/h1-5H,(H,16,17)
InChIKeyPQPCUQWVYXZVDY-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione?
The IUPAC name of 4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione (CID 106522555) is 4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione.
What is the SMILES notation for 4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione?
The canonical SMILES for 4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione is FC(F)(F)c1ccncc1-c1cn[nH]c(=S)c1.
What is the InChIKey of 4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione?
The InChIKey is PQPCUQWVYXZVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3S/c11-10(12,13)8-1-2-14-5-7(8)6-3-9(17)16-15-4-6/h1-5H,(H,16,17).
What are the key properties of 4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione?
4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione has a molecular weight of 257.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione is sourced from PubChem (CID 106522555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).