2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine

C6H7F3N4 — CID 80647435

IUPAC2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
SMILESNc1cncc(NCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)3-12-5-2-11-1-4(10)13-5/h1-2H,3H2,(H3,10,12,13)
InChIKeyMULRUMIFQONUOV-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.03
Rot. Bonds2

About 2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine

2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine (PubChem CID 80647435) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
PubChem CID80647435
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
SMILESNc1cncc(NCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)3-12-5-2-11-1-4(10)13-5/h1-2H,3H2,(H3,10,12,13)
InChIKeyMULRUMIFQONUOV-UHFFFAOYSA-N
XLogP1.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine (CID 80647435) is 2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine is Nc1cncc(NCC(F)(F)F)n1.
What is the InChIKey of 2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine?
The InChIKey is MULRUMIFQONUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c7-6(8,9)3-12-5-2-11-1-4(10)13-5/h1-2H,3H2,(H3,10,12,13).
What are the key properties of 2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine?
2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine has a molecular weight of 192.14 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80647435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).