N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C7H8F3N5O — CID 114387802

IUPACN-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1nccnn1
InChIInChI=1S/C7H8F3N5O/c8-7(9,10)4-11-3-5(16)14-6-12-1-2-13-15-6/h1-2,11H,3-4H2,(H,12,14,15,16)
InChIKeyOMHUIVJPQJCDMI-UHFFFAOYSA-N
MW235.17 g/mol
LogP-0.04
Rot. Bonds4

About N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 114387802) has the molecular formula C7H8F3N5O and a molecular weight of 235.17 g/mol. Its IUPAC name is N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID114387802
Molecular FormulaC7H8F3N5O
Molecular Weight235.17 g/mol
Exact Mass235.07
IUPAC NameN-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1nccnn1
InChIInChI=1S/C7H8F3N5O/c8-7(9,10)4-11-3-5(16)14-6-12-1-2-13-15-6/h1-2,11H,3-4H2,(H,12,14,15,16)
InChIKeyOMHUIVJPQJCDMI-UHFFFAOYSA-N
XLogP-0.04
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 114387802) is N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1nccnn1.
What is the InChIKey of N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is OMHUIVJPQJCDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N5O/c8-7(9,10)4-11-3-5(16)14-6-12-1-2-13-15-6/h1-2,11H,3-4H2,(H,12,14,15,16).
What are the key properties of N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 235.17 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 114387802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).