N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H16F3N5O — CID 114387643

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1nnc(NC(=O)CNCC(F)(F)F)nc1CC
InChIInChI=1S/C11H16F3N5O/c1-3-7-8(4-2)18-19-10(16-7)17-9(20)5-15-6-11(12,13)14/h15H,3-6H2,1-2H3,(H,16,17,19,20)
InChIKeyVODFZUITRVMHMT-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.09
Rot. Bonds6

About N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 114387643) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID114387643
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1nnc(NC(=O)CNCC(F)(F)F)nc1CC
InChIInChI=1S/C11H16F3N5O/c1-3-7-8(4-2)18-19-10(16-7)17-9(20)5-15-6-11(12,13)14/h15H,3-6H2,1-2H3,(H,16,17,19,20)
InChIKeyVODFZUITRVMHMT-UHFFFAOYSA-N
XLogP1.09
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 114387643) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CCc1nnc(NC(=O)CNCC(F)(F)F)nc1CC.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VODFZUITRVMHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-3-7-8(4-2)18-19-10(16-7)17-9(20)5-15-6-11(12,13)14/h15H,3-6H2,1-2H3,(H,16,17,19,20).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 291.28 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 114387643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).