5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine

C11H17F3N4O — CID 105362647

IUPAC5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCOCC(F)(F)F)nc1CC
InChIInChI=1S/C11H17F3N4O/c1-3-8-9(4-2)17-18-10(16-8)15-5-6-19-7-11(12,13)14/h3-7H2,1-2H3,(H,15,16,18)
InChIKeyHMYTWCHNIVFWQI-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.99
Rot. Bonds7

About 5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine (PubChem CID 105362647) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine
PubChem CID105362647
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCOCC(F)(F)F)nc1CC
InChIInChI=1S/C11H17F3N4O/c1-3-8-9(4-2)17-18-10(16-8)15-5-6-19-7-11(12,13)14/h3-7H2,1-2H3,(H,15,16,18)
InChIKeyHMYTWCHNIVFWQI-UHFFFAOYSA-N
XLogP1.99
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine (CID 105362647) is 5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine is CCc1nnc(NCCOCC(F)(F)F)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is HMYTWCHNIVFWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-8-9(4-2)17-18-10(16-8)15-5-6-19-7-11(12,13)14/h3-7H2,1-2H3,(H,15,16,18).
What are the key properties of 5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 278.28 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).