(Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine

C8H9F3N4 — CID 167098922

IUPAC(Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine
SMILESC=N/N=C(\N1C=C(C)N=CC1)C(F)(F)F
InChIInChI=1S/C8H9F3N4/c1-6-5-15(4-3-13-6)7(14-12-2)8(9,10)11/h3,5H,2,4H2,1H3/b14-7-
InChIKeyJYDAZRQCUSOVNT-AUWJEWJLSA-N
MW218.18 g/mol
LogP1.81
Rot. Bonds1

About (Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine

(Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine (PubChem CID 167098922) has the molecular formula C8H9F3N4 and a molecular weight of 218.18 g/mol. Its IUPAC name is (Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine.

Molecular Properties

Compound Name(Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine
PubChem CID167098922
Molecular FormulaC8H9F3N4
Molecular Weight218.18 g/mol
Exact Mass218.08
IUPAC Name(Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine
SMILESC=N/N=C(\N1C=C(C)N=CC1)C(F)(F)F
InChIInChI=1S/C8H9F3N4/c1-6-5-15(4-3-13-6)7(14-12-2)8(9,10)11/h3,5H,2,4H2,1H3/b14-7-
InChIKeyJYDAZRQCUSOVNT-AUWJEWJLSA-N
XLogP1.81
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine?
The IUPAC name of (Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine (CID 167098922) is (Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine.
What is the SMILES notation for (Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine?
The canonical SMILES for (Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine is C=N/N=C(\N1C=C(C)N=CC1)C(F)(F)F.
What is the InChIKey of (Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine?
The InChIKey is JYDAZRQCUSOVNT-AUWJEWJLSA-N. The full InChI is InChI=1S/C8H9F3N4/c1-6-5-15(4-3-13-6)7(14-12-2)8(9,10)11/h3,5H,2,4H2,1H3/b14-7-.
What are the key properties of (Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine?
(Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine has a molecular weight of 218.18 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,2-trifluoro-N-(methylideneamino)-1-(5-methyl-2H-pyrazin-1-yl)ethanimine is sourced from PubChem (CID 167098922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).