3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine

C15H9F3N6S — CID 71578670

IUPAC3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccn[nH]4)n3n2)c1
InChIInChI=1S/C15H9F3N6S/c16-15(17,18)9-2-1-3-10(8-9)25-13-5-4-12-21-22-14(24(12)23-13)11-6-7-19-20-11/h1-8H,(H,19,20)
InChIKeyBRDOAWGYRPJGAJ-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.68
Rot. Bonds3

About 3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine

3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 71578670) has the molecular formula C15H9F3N6S and a molecular weight of 362.34 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID71578670
Molecular FormulaC15H9F3N6S
Molecular Weight362.34 g/mol
Exact Mass362.06
IUPAC Name3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccn[nH]4)n3n2)c1
InChIInChI=1S/C15H9F3N6S/c16-15(17,18)9-2-1-3-10(8-9)25-13-5-4-12-21-22-14(24(12)23-13)11-6-7-19-20-11/h1-8H,(H,19,20)
InChIKeyBRDOAWGYRPJGAJ-UHFFFAOYSA-N
XLogP3.68
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 71578670) is 3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccn[nH]4)n3n2)c1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BRDOAWGYRPJGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N6S/c16-15(17,18)9-2-1-3-10(8-9)25-13-5-4-12-21-22-14(24(12)23-13)11-6-7-19-20-11/h1-8H,(H,19,20).
What are the key properties of 3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 362.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 71578670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).