2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide

C11H16F3N5O — CID 114387585

IUPAC2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCc1nnc(NC(=O)C(C)(N)C(F)(F)F)nc1CC
InChIInChI=1S/C11H16F3N5O/c1-4-6-7(5-2)18-19-9(16-6)17-8(20)10(3,15)11(12,13)14/h4-5,15H2,1-3H3,(H,16,17,19,20)
InChIKeyWAXLLLNLUYTWCP-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.21
Rot. Bonds4

About 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 114387585) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID114387585
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCc1nnc(NC(=O)C(C)(N)C(F)(F)F)nc1CC
InChIInChI=1S/C11H16F3N5O/c1-4-6-7(5-2)18-19-9(16-6)17-8(20)10(3,15)11(12,13)14/h4-5,15H2,1-3H3,(H,16,17,19,20)
InChIKeyWAXLLLNLUYTWCP-UHFFFAOYSA-N
XLogP1.21
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 114387585) is 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide is CCc1nnc(NC(=O)C(C)(N)C(F)(F)F)nc1CC.
What is the InChIKey of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is WAXLLLNLUYTWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-4-6-7(5-2)18-19-9(16-6)17-8(20)10(3,15)11(12,13)14/h4-5,15H2,1-3H3,(H,16,17,19,20).
What are the key properties of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 291.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 114387585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).