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

C10H14F3N5O2 — CID 46548794

IUPAC2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5O2/c1-9(2,3)7(20)14-4-5(19)15-8-16-6(17-18-8)10(11,12)13/h4H2,1-3H3,(H,14,20)(H2,15,16,17,18,19)
InChIKeyPGJSSMMHFOFLNL-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.92
Rot. Bonds3

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

2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide (PubChem CID 46548794) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide
PubChem CID46548794
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5O2/c1-9(2,3)7(20)14-4-5(19)15-8-16-6(17-18-8)10(11,12)13/h4H2,1-3H3,(H,14,20)(H2,15,16,17,18,19)
InChIKeyPGJSSMMHFOFLNL-UHFFFAOYSA-N
XLogP0.92
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide (CID 46548794) is 2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide?
The InChIKey is PGJSSMMHFOFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2/c1-9(2,3)7(20)14-4-5(19)15-8-16-6(17-18-8)10(11,12)13/h4H2,1-3H3,(H,14,20)(H2,15,16,17,18,19).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide has a molecular weight of 293.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]propanamide is sourced from PubChem (CID 46548794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).