N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

C8H11F3N4O2 — CID 103726053

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)F)c1ncn[nH]1
InChIInChI=1S/C8H11F3N4O2/c1-5(7-12-4-13-15-7)14-6(16)2-17-3-8(9,10)11/h4-5H,2-3H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyVAMWNQWUDUHNIJ-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.56
Rot. Bonds5

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103726053) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103726053
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)F)c1ncn[nH]1
InChIInChI=1S/C8H11F3N4O2/c1-5(7-12-4-13-15-7)14-6(16)2-17-3-8(9,10)11/h4-5H,2-3H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyVAMWNQWUDUHNIJ-UHFFFAOYSA-N
XLogP0.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 97582793
N-(1H-1,2,4-triazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 54885328
1-[(2-Methyl-1,2,4-triazol-3-yl)methyl]-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 71990422
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 80370448
5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 80387225
5-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 80387229
5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 80387242
1-[(2,2,3,3-tetrafluoropropoxy)acetyl]-4-(4H-1,2,4-triazol-3-ylmethyl)piperazine
CID 90652940
3-methyl-5-{1-[(2,2,3,3-tetrafluoropropoxy)acetyl]pyrrolidin-2-yl}-1H-1,2,4-triazole
CID 90653545
N-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91769531
N-[1-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91773318
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 97582794

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103726053) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is CC(NC(=O)COCC(F)(F)F)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is VAMWNQWUDUHNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-5(7-12-4-13-15-7)14-6(16)2-17-3-8(9,10)11/h4-5H,2-3H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 252.20 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103726053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).