1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide

C11H13F3N6O2 — CID 154846283

IUPAC1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C)c(=O)n1C)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H13F3N6O2/c1-5(7-16-9(18-17-7)11(12,13)14)15-8(21)6-4-19(2)10(22)20(6)3/h4-5H,1-3H3,(H,15,21)(H,16,17,18)
InChIKeyUESBLTKLFCGVJF-UHFFFAOYSA-N
MW318.26 g/mol
LogP0.35
Rot. Bonds3

About 1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide

1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide (PubChem CID 154846283) has the molecular formula C11H13F3N6O2 and a molecular weight of 318.26 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide
PubChem CID154846283
Molecular FormulaC11H13F3N6O2
Molecular Weight318.26 g/mol
Exact Mass318.11
IUPAC Name1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C)c(=O)n1C)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H13F3N6O2/c1-5(7-16-9(18-17-7)11(12,13)14)15-8(21)6-4-19(2)10(22)20(6)3/h4-5H,1-3H3,(H,15,21)(H,16,17,18)
InChIKeyUESBLTKLFCGVJF-UHFFFAOYSA-N
XLogP0.35
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide (CID 154846283) is 1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide is CC(NC(=O)c1cn(C)c(=O)n1C)c1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide?
The InChIKey is UESBLTKLFCGVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O2/c1-5(7-16-9(18-17-7)11(12,13)14)15-8(21)6-4-19(2)10(22)20(6)3/h4-5H,1-3H3,(H,15,21)(H,16,17,18).
What are the key properties of 1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide?
1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide has a molecular weight of 318.26 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 154846283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).