N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C14H20F3N5O — CID 128858506

IUPACN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2n(n1)CCCC2)N1CCCC(CC(F)(F)F)C1
InChIInChI=1S/C14H20F3N5O/c15-14(16,17)8-10-4-3-6-21(9-10)13(23)19-12-18-11-5-1-2-7-22(11)20-12/h10H,1-9H2,(H,19,20,23)
InChIKeyZBGASTNXCSOZFP-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.81
Rot. Bonds2

About N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 128858506) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID128858506
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2n(n1)CCCC2)N1CCCC(CC(F)(F)F)C1
InChIInChI=1S/C14H20F3N5O/c15-14(16,17)8-10-4-3-6-21(9-10)13(23)19-12-18-11-5-1-2-7-22(11)20-12/h10H,1-9H2,(H,19,20,23)
InChIKeyZBGASTNXCSOZFP-UHFFFAOYSA-N
XLogP2.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 128858506) is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(Nc1nc2n(n1)CCCC2)N1CCCC(CC(F)(F)F)C1.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is ZBGASTNXCSOZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O/c15-14(16,17)8-10-4-3-6-21(9-10)13(23)19-12-18-11-5-1-2-7-22(11)20-12/h10H,1-9H2,(H,19,20,23).
What are the key properties of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 128858506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).