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

C10H14F3N5O — CID 154739988

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1cn[nH]n1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)6-18-3-1-7(2-4-18)15-9(19)8-5-14-17-16-8/h5,7H,1-4,6H2,(H,15,19)(H,14,16,17)
InChIKeyANGISTFHAQMJEB-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.56
Rot. Bonds3

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

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide (PubChem CID 154739988) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide
PubChem CID154739988
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1cn[nH]n1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)6-18-3-1-7(2-4-18)15-9(19)8-5-14-17-16-8/h5,7H,1-4,6H2,(H,15,19)(H,14,16,17)
InChIKeyANGISTFHAQMJEB-UHFFFAOYSA-N
XLogP0.56
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide (CID 154739988) is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide is O=C(NC1CCN(CC(F)(F)F)CC1)c1cn[nH]n1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide?
The InChIKey is ANGISTFHAQMJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)6-18-3-1-7(2-4-18)15-9(19)8-5-14-17-16-8/h5,7H,1-4,6H2,(H,15,19)(H,14,16,17).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide?
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 154739988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).