3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine

C10H14F3N3O — CID 65418417

IUPAC3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7-5-15-8(2)9(16-7)14-3-4-17-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyIDBFCUOJCODQLA-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.08
Rot. Bonds5

About 3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine

3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine (PubChem CID 65418417) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
PubChem CID65418417
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7-5-15-8(2)9(16-7)14-3-4-17-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyIDBFCUOJCODQLA-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine (CID 65418417) is 3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine is Cc1cnc(C)c(NCCOCC(F)(F)F)n1.
What is the InChIKey of 3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
The InChIKey is IDBFCUOJCODQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7-5-15-8(2)9(16-7)14-3-4-17-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,16).
What are the key properties of 3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine is sourced from PubChem (CID 65418417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).