6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine

C12H11F3N4 — CID 80825638

IUPAC6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2cc(F)cc(F)c2F)n1
InChIInChI=1S/C12H11F3N4/c1-2-17-10-5-16-6-11(19-10)18-9-4-7(13)3-8(14)12(9)15/h3-6H,2H2,1H3,(H2,17,18,19)
InChIKeyHNMASHJGHHEOHT-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.07
Rot. Bonds4

About 6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine

6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine (PubChem CID 80825638) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine
PubChem CID80825638
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2cc(F)cc(F)c2F)n1
InChIInChI=1S/C12H11F3N4/c1-2-17-10-5-16-6-11(19-10)18-9-4-7(13)3-8(14)12(9)15/h3-6H,2H2,1H3,(H2,17,18,19)
InChIKeyHNMASHJGHHEOHT-UHFFFAOYSA-N
XLogP3.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine (CID 80825638) is 6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine is CCNc1cncc(Nc2cc(F)cc(F)c2F)n1.
What is the InChIKey of 6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine?
The InChIKey is HNMASHJGHHEOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-2-17-10-5-16-6-11(19-10)18-9-4-7(13)3-8(14)12(9)15/h3-6H,2H2,1H3,(H2,17,18,19).
What are the key properties of 6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine?
6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine has a molecular weight of 268.24 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80825638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).