6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C15H9F6N5O — CID 134555489

IUPAC6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cnc1OC1CC(F)(F)C1
InChIInChI=1S/C15H9F6N5O/c16-9-3-7(6-22-12(9)27-8-4-14(17,18)5-8)10-1-2-11-23-24-13(15(19,20)21)26(11)25-10/h1-3,6,8H,4-5H2
InChIKeyZQGKRFFPOSBFLC-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.52
Rot. Bonds3

About 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555489) has the molecular formula C15H9F6N5O and a molecular weight of 389.26 g/mol. Its IUPAC name is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555489
Molecular FormulaC15H9F6N5O
Molecular Weight389.26 g/mol
Exact Mass389.07
IUPAC Name6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cnc1OC1CC(F)(F)C1
InChIInChI=1S/C15H9F6N5O/c16-9-3-7(6-22-12(9)27-8-4-14(17,18)5-8)10-1-2-11-23-24-13(15(19,20)21)26(11)25-10/h1-3,6,8H,4-5H2
InChIKeyZQGKRFFPOSBFLC-UHFFFAOYSA-N
XLogP3.52
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555489) is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Fc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cnc1OC1CC(F)(F)C1.
What is the InChIKey of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZQGKRFFPOSBFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N5O/c16-9-3-7(6-22-12(9)27-8-4-14(17,18)5-8)10-1-2-11-23-24-13(15(19,20)21)26(11)25-10/h1-3,6,8H,4-5H2.
What are the key properties of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 389.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).