N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide

C11H11F3N4O2 — CID 16671816

IUPACN,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide
SMILESCN(C)C(=O)Cn1nc(C(F)(F)F)c2cccn2c1=O
InChIInChI=1S/C11H11F3N4O2/c1-16(2)8(19)6-18-10(20)17-5-3-4-7(17)9(15-18)11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyLFFFHTRFCGDZMG-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.60
Rot. Bonds2

About N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide

N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide (PubChem CID 16671816) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide
PubChem CID16671816
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC NameN,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide
SMILESCN(C)C(=O)Cn1nc(C(F)(F)F)c2cccn2c1=O
InChIInChI=1S/C11H11F3N4O2/c1-16(2)8(19)6-18-10(20)17-5-3-4-7(17)9(15-18)11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyLFFFHTRFCGDZMG-UHFFFAOYSA-N
XLogP0.60
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide (CID 16671816) is N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide is CN(C)C(=O)Cn1nc(C(F)(F)F)c2cccn2c1=O.
What is the InChIKey of N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide?
The InChIKey is LFFFHTRFCGDZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-16(2)8(19)6-18-10(20)17-5-3-4-7(17)9(15-18)11(12,13)14/h3-5H,6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide?
N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide has a molecular weight of 288.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide is sourced from PubChem (CID 16671816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).