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

C15H10F5N5O — CID 134555523

IUPAC6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3c(C(F)F)nnc3cn2)cnc1OC1CC(F)(F)C1
InChIInChI=1S/C15H10F5N5O/c16-9-1-7(4-22-14(9)26-8-2-15(19,20)3-8)10-6-25-11(5-21-10)23-24-13(25)12(17)18/h1,4-6,8,12H,2-3H2
InChIKeyGPRUALRFSKZFQQ-UHFFFAOYSA-N
MW371.27 g/mol
LogP3.44
Rot. Bonds4

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

6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555523) has the molecular formula C15H10F5N5O and a molecular weight of 371.27 g/mol. Its IUPAC name is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555523
Molecular FormulaC15H10F5N5O
Molecular Weight371.27 g/mol
Exact Mass371.08
IUPAC Name6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3c(C(F)F)nnc3cn2)cnc1OC1CC(F)(F)C1
InChIInChI=1S/C15H10F5N5O/c16-9-1-7(4-22-14(9)26-8-2-15(19,20)3-8)10-6-25-11(5-21-10)23-24-13(25)12(17)18/h1,4-6,8,12H,2-3H2
InChIKeyGPRUALRFSKZFQQ-UHFFFAOYSA-N
XLogP3.44
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 53.44
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-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555523) is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[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-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(-c2cn3c(C(F)F)nnc3cn2)cnc1OC1CC(F)(F)C1.
What is the InChIKey of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GPRUALRFSKZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N5O/c16-9-1-7(4-22-14(9)26-8-2-15(19,20)3-8)10-6-25-11(5-21-10)23-24-13(25)12(17)18/h1,4-6,8,12H,2-3H2.
What are the key properties of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 371.27 g/mol, XLogP of 3.44, 4 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-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134555523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).