1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide

C10H14F3N5O — CID 55173047

IUPAC1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)6-15-9(19)8-5-18(17-16-8)7-1-3-14-4-2-7/h5,7,14H,1-4,6H2,(H,15,19)
InChIKeyRJQYBNQMFMJYTI-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.49
Rot. Bonds3

About 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide

1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide (PubChem CID 55173047) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
PubChem CID55173047
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)6-15-9(19)8-5-18(17-16-8)7-1-3-14-4-2-7/h5,7,14H,1-4,6H2,(H,15,19)
InChIKeyRJQYBNQMFMJYTI-UHFFFAOYSA-N
XLogP0.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide (CID 55173047) is 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide is O=C(NCC(F)(F)F)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The InChIKey is RJQYBNQMFMJYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)6-15-9(19)8-5-18(17-16-8)7-1-3-14-4-2-7/h5,7,14H,1-4,6H2,(H,15,19).
What are the key properties of 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide is sourced from PubChem (CID 55173047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).