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

C15H9F6N5O — CID 134555491

IUPAC6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OC1CC(F)(F)C1
InChIInChI=1S/C15H9F6N5O/c16-9-1-7(4-23-12(9)27-8-2-14(17,18)3-8)10-6-26-11(5-22-10)24-25-13(26)15(19,20)21/h1,4-6,8H,2-3H2
InChIKeyRJUSZVXIXJOFFX-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-a]pyrazine

6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555491) 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-a]pyrazine.

Molecular Properties

Compound Name6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555491
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-a]pyrazine
SMILESFc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OC1CC(F)(F)C1
InChIInChI=1S/C15H9F6N5O/c16-9-1-7(4-23-12(9)27-8-2-14(17,18)3-8)10-6-26-11(5-22-10)24-25-13(26)15(19,20)21/h1,4-6,8H,2-3H2
InChIKeyRJUSZVXIXJOFFX-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-a]pyrazine?
The IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555491) is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)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-a]pyrazine?
The InChIKey is RJUSZVXIXJOFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N5O/c16-9-1-7(4-23-12(9)27-8-2-14(17,18)3-8)10-6-26-11(5-22-10)24-25-13(26)15(19,20)21/h1,4-6,8H,2-3H2.
What are the key properties of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine 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-a]pyrazine is sourced from PubChem (CID 134555491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).