N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide

C15H19F3N6O — CID 49431199

IUPACN-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C15H19F3N6O/c1-2-5-19-13(25)10-4-3-6-23(8-10)12-7-11(15(16,17)18)22-14-20-9-21-24(12)14/h7,9-10H,2-6,8H2,1H3,(H,19,25)
InChIKeyUPDIOYUTZBIYDJ-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.89
Rot. Bonds4

About N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide

N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide (PubChem CID 49431199) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
PubChem CID49431199
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC NameN-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C15H19F3N6O/c1-2-5-19-13(25)10-4-3-6-23(8-10)12-7-11(15(16,17)18)22-14-20-9-21-24(12)14/h7,9-10H,2-6,8H2,1H3,(H,19,25)
InChIKeyUPDIOYUTZBIYDJ-UHFFFAOYSA-N
XLogP1.89
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The IUPAC name of N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide (CID 49431199) is N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The canonical SMILES for N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1.
What is the InChIKey of N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The InChIKey is UPDIOYUTZBIYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-2-5-19-13(25)10-4-3-6-23(8-10)12-7-11(15(16,17)18)22-14-20-9-21-24(12)14/h7,9-10H,2-6,8H2,1H3,(H,19,25).
What are the key properties of N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide has a molecular weight of 356.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide is sourced from PubChem (CID 49431199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).