5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine

C16H15F3N6O — CID 57400286

IUPAC5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(N4CCNCC4)nc32)c1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)26-12-3-1-2-11(10-12)25-15-13(22-23-25)4-5-14(21-15)24-8-6-20-7-9-24/h1-5,10,20H,6-9H2
InChIKeyXMQNESURDOJRSS-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.12
Rot. Bonds3

About 5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine

5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine (PubChem CID 57400286) has the molecular formula C16H15F3N6O and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
PubChem CID57400286
Molecular FormulaC16H15F3N6O
Molecular Weight364.33 g/mol
Exact Mass364.13
IUPAC Name5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(N4CCNCC4)nc32)c1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)26-12-3-1-2-11(10-12)25-15-13(22-23-25)4-5-14(21-15)24-8-6-20-7-9-24/h1-5,10,20H,6-9H2
InChIKeyXMQNESURDOJRSS-UHFFFAOYSA-N
XLogP2.12
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
The IUPAC name of 5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine (CID 57400286) is 5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine.
What is the SMILES notation for 5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
The canonical SMILES for 5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine is FC(F)(F)Oc1cccc(-n2nnc3ccc(N4CCNCC4)nc32)c1.
What is the InChIKey of 5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
The InChIKey is XMQNESURDOJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O/c17-16(18,19)26-12-3-1-2-11(10-12)25-15-13(22-23-25)4-5-14(21-15)24-8-6-20-7-9-24/h1-5,10,20H,6-9H2.
What are the key properties of 5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine has a molecular weight of 364.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine is sourced from PubChem (CID 57400286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).