N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide

C7H9F3N4O2 — CID 90542330

IUPACN-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCNC(=O)Cn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C7H9F3N4O2/c1-11-4(15)3-14-6(16)13(2)5(12-14)7(8,9)10/h3H2,1-2H3,(H,11,15)
InChIKeyBPTAPFIRXHQDBR-UHFFFAOYSA-N
MW238.17 g/mol
LogP-0.65
Rot. Bonds2

About N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide

N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 90542330) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
PubChem CID90542330
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC NameN-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCNC(=O)Cn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C7H9F3N4O2/c1-11-4(15)3-14-6(16)13(2)5(12-14)7(8,9)10/h3H2,1-2H3,(H,11,15)
InChIKeyBPTAPFIRXHQDBR-UHFFFAOYSA-N
XLogP-0.65
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (CID 90542330) is N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is CNC(=O)Cn1nc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is BPTAPFIRXHQDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c1-11-4(15)3-14-6(16)13(2)5(12-14)7(8,9)10/h3H2,1-2H3,(H,11,15).
What are the key properties of N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 238.17 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 90542330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).