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

C9H7F3N4O2 — CID 16671893

IUPAC2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide
SMILESNC(=O)Cn1nc(C(F)(F)F)c2cccn2c1=O
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)7-5-2-1-3-15(5)8(18)16(14-7)4-6(13)17/h1-3H,4H2,(H2,13,17)
InChIKeyDUXRXPHSYCZTMM-UHFFFAOYSA-N
MW260.18 g/mol
LogP0.00
Rot. Bonds2

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

2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide (PubChem CID 16671893) has the molecular formula C9H7F3N4O2 and a molecular weight of 260.18 g/mol. Its IUPAC name is 2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide
PubChem CID16671893
Molecular FormulaC9H7F3N4O2
Molecular Weight260.18 g/mol
Exact Mass260.05
IUPAC Name2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide
SMILESNC(=O)Cn1nc(C(F)(F)F)c2cccn2c1=O
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)7-5-2-1-3-15(5)8(18)16(14-7)4-6(13)17/h1-3H,4H2,(H2,13,17)
InChIKeyDUXRXPHSYCZTMM-UHFFFAOYSA-N
XLogP0.00
TPSA82.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide?
The IUPAC name of 2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide (CID 16671893) is 2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide.
What is the SMILES notation for 2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide?
The canonical SMILES for 2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide is NC(=O)Cn1nc(C(F)(F)F)c2cccn2c1=O.
What is the InChIKey of 2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide?
The InChIKey is DUXRXPHSYCZTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2/c10-9(11,12)7-5-2-1-3-15(5)8(18)16(14-7)4-6(13)17/h1-3H,4H2,(H2,13,17).
What are the key properties of 2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide?
2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide has a molecular weight of 260.18 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide is sourced from PubChem (CID 16671893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).