N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide

C8H10F3N5O2 — CID 112733475

IUPACN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1cn[nH]n1
InChIInChI=1S/C8H10F3N5O2/c1-16(7(18)5-2-13-15-14-5)3-6(17)12-4-8(9,10)11/h2H,3-4H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyMXPZEBVYSJUSQS-UHFFFAOYSA-N
MW265.19 g/mol
LogP-0.44
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide

N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide (PubChem CID 112733475) has the molecular formula C8H10F3N5O2 and a molecular weight of 265.19 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide
PubChem CID112733475
Molecular FormulaC8H10F3N5O2
Molecular Weight265.19 g/mol
Exact Mass265.08
IUPAC NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1cn[nH]n1
InChIInChI=1S/C8H10F3N5O2/c1-16(7(18)5-2-13-15-14-5)3-6(17)12-4-8(9,10)11/h2H,3-4H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyMXPZEBVYSJUSQS-UHFFFAOYSA-N
XLogP-0.44
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide (CID 112733475) is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)c1cn[nH]n1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is MXPZEBVYSJUSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O2/c1-16(7(18)5-2-13-15-14-5)3-6(17)12-4-8(9,10)11/h2H,3-4H2,1H3,(H,12,17)(H,13,14,15).
What are the key properties of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide?
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 265.19 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).