N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

C17H17F3N6O — CID 57400284

IUPACN-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(NC4CCNCC4)nc32)c1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)27-13-3-1-2-12(10-13)26-16-14(24-25-26)4-5-15(23-16)22-11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2,(H,22,23)
InChIKeyKRZFOHDWKJHXLR-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.88
Rot. Bonds4

About N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 57400284) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID57400284
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC NameN-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(NC4CCNCC4)nc32)c1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)27-13-3-1-2-12(10-13)26-16-14(24-25-26)4-5-15(23-16)22-11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2,(H,22,23)
InChIKeyKRZFOHDWKJHXLR-UHFFFAOYSA-N
XLogP2.88
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 57400284) is N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is FC(F)(F)Oc1cccc(-n2nnc3ccc(NC4CCNCC4)nc32)c1.
What is the InChIKey of N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is KRZFOHDWKJHXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)27-13-3-1-2-12(10-13)26-16-14(24-25-26)4-5-15(23-16)22-11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2,(H,22,23).
What are the key properties of N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 378.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 57400284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).