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

C17H10F3N5S — CID 71578757

IUPAC3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C17H10F3N5S/c18-17(19,20)12-2-1-3-13(10-12)26-15-5-4-14-22-23-16(25(14)24-15)11-6-8-21-9-7-11/h1-10H
InChIKeyHYHMMLICYDEWBR-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.36
Rot. Bonds3

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

3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 71578757) has the molecular formula C17H10F3N5S and a molecular weight of 373.36 g/mol. Its IUPAC name is 3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID71578757
Molecular FormulaC17H10F3N5S
Molecular Weight373.36 g/mol
Exact Mass373.06
IUPAC Name3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C17H10F3N5S/c18-17(19,20)12-2-1-3-13(10-12)26-15-5-4-14-22-23-16(25(14)24-15)11-6-8-21-9-7-11/h1-10H
InChIKeyHYHMMLICYDEWBR-UHFFFAOYSA-N
XLogP4.36
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 71578757) is 3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccncc4)n3n2)c1.
What is the InChIKey of 3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HYHMMLICYDEWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5S/c18-17(19,20)12-2-1-3-13(10-12)26-15-5-4-14-22-23-16(25(14)24-15)11-6-8-21-9-7-11/h1-10H.
What are the key properties of 3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 373.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 71578757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).