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

C12H18F3N5O — CID 63284249

IUPACN-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H18F3N5O/c1-2-19(8-12(13,14)15)11(21)10-7-20(18-17-10)9-3-5-16-6-4-9/h7,9,16H,2-6,8H2,1H3
InChIKeyYQTQQXNWLYGHML-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.23
Rot. Bonds4

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

N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide (PubChem CID 63284249) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
PubChem CID63284249
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H18F3N5O/c1-2-19(8-12(13,14)15)11(21)10-7-20(18-17-10)9-3-5-16-6-4-9/h7,9,16H,2-6,8H2,1H3
InChIKeyYQTQQXNWLYGHML-UHFFFAOYSA-N
XLogP1.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The IUPAC name of N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide (CID 63284249) is N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide is CCN(CC(F)(F)F)C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The InChIKey is YQTQQXNWLYGHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-2-19(8-12(13,14)15)11(21)10-7-20(18-17-10)9-3-5-16-6-4-9/h7,9,16H,2-6,8H2,1H3.
What are the key properties of N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide is sourced from PubChem (CID 63284249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).