1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one

C9H10F3N5O2 — CID 55092056

IUPAC1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C9H10F3N5O2/c10-9(11,12)7(18)6-5-17(15-14-6)4-3-16-2-1-13-8(16)19/h5H,1-4H2,(H,13,19)
InChIKeyJIVQFMLDSONORG-UHFFFAOYSA-N
MW277.21 g/mol
LogP0.05
Rot. Bonds4

About 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one (PubChem CID 55092056) has the molecular formula C9H10F3N5O2 and a molecular weight of 277.21 g/mol. Its IUPAC name is 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one
PubChem CID55092056
Molecular FormulaC9H10F3N5O2
Molecular Weight277.21 g/mol
Exact Mass277.08
IUPAC Name1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C9H10F3N5O2/c10-9(11,12)7(18)6-5-17(15-14-6)4-3-16-2-1-13-8(16)19/h5H,1-4H2,(H,13,19)
InChIKeyJIVQFMLDSONORG-UHFFFAOYSA-N
XLogP0.05
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]butanamide
CID 55091956
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
1-[1-(2-Aminoethyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 62579604
N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
CID 62579607
N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
CID 62579791

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one (CID 55092056) is 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCn1cc(C(=O)C(F)(F)F)nn1.
What is the InChIKey of 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is JIVQFMLDSONORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O2/c10-9(11,12)7(18)6-5-17(15-14-6)4-3-16-2-1-13-8(16)19/h5H,1-4H2,(H,13,19).
What are the key properties of 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 277.21 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 55092056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).