2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine

C18H12F6N4 — CID 140742869

IUPAC2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
SMILESFC(F)(F)c1ccc(Nc2cncc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H12F6N4/c19-17(20,21)11-1-5-13(6-2-11)26-15-9-25-10-16(28-15)27-14-7-3-12(4-8-14)18(22,23)24/h1-10H,(H2,26,27,28)
InChIKeyJQUXQAJDQFOCRN-UHFFFAOYSA-N
MW398.31 g/mol
LogP6.00
Rot. Bonds4

About 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine

2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine (PubChem CID 140742869) has the molecular formula C18H12F6N4 and a molecular weight of 398.31 g/mol. Its IUPAC name is 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
PubChem CID140742869
Molecular FormulaC18H12F6N4
Molecular Weight398.31 g/mol
Exact Mass398.10
IUPAC Name2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
SMILESFC(F)(F)c1ccc(Nc2cncc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H12F6N4/c19-17(20,21)11-1-5-13(6-2-11)26-15-9-25-10-16(28-15)27-14-7-3-12(4-8-14)18(22,23)24/h1-10H,(H2,26,27,28)
InChIKeyJQUXQAJDQFOCRN-UHFFFAOYSA-N
XLogP6.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.31
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine (CID 140742869) is 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine is FC(F)(F)c1ccc(Nc2cncc(Nc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine?
The InChIKey is JQUXQAJDQFOCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N4/c19-17(20,21)11-1-5-13(6-2-11)26-15-9-25-10-16(28-15)27-14-7-3-12(4-8-14)18(22,23)24/h1-10H,(H2,26,27,28).
What are the key properties of 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine?
2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine has a molecular weight of 398.31 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine is sourced from PubChem (CID 140742869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).