1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one

C10H9F3N4O3 — CID 62579975

IUPAC1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)Cn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H9F3N4O3/c11-10(12,13)9(20)6-4-16(15-14-6)5-8(19)17-3-1-2-7(17)18/h4H,1-3,5H2
InChIKeyDWGWMYIJILEJJT-UHFFFAOYSA-N
MW290.20 g/mol
LogP0.17
Rot. Bonds3

About 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one

1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one (PubChem CID 62579975) has the molecular formula C10H9F3N4O3 and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one
PubChem CID62579975
Molecular FormulaC10H9F3N4O3
Molecular Weight290.20 g/mol
Exact Mass290.06
IUPAC Name1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)Cn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H9F3N4O3/c11-10(12,13)9(20)6-4-16(15-14-6)5-8(19)17-3-1-2-7(17)18/h4H,1-3,5H2
InChIKeyDWGWMYIJILEJJT-UHFFFAOYSA-N
XLogP0.17
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[4-(4-Acetyltriazol-1-yl)-3-fluorobutyl]triazol-4-yl]ethanone
CID 144992875
N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide
CID 55091956
1-[2-[4-(2,2,2-Trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one
CID 55092056
1-[1-[2-(Diethylamino)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 55092057
N-(2-methylpropyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
CID 55092103
2,2,2-Trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone
CID 55092104
N-propyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
CID 55092153
N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
CID 55092257
N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
CID 55092258
N-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]acetamide
CID 55092610
2-[4-(2,2,2-Trifluoroacetyl)triazol-1-yl]butanamide
CID 55132395
N-ethyl-3-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
CID 62579601

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one (CID 62579975) is 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)Cn1cc(C(=O)C(F)(F)F)nn1.
What is the InChIKey of 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one?
The InChIKey is DWGWMYIJILEJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O3/c11-10(12,13)9(20)6-4-16(15-14-6)5-8(19)17-3-1-2-7(17)18/h4H,1-3,5H2.
What are the key properties of 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one?
1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one has a molecular weight of 290.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 62579975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).