N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide

C11H13F3N4 — CID 123489567

IUPACN-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide
SMILESC=CN/C(=N\CCC)c1cncc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N4/c1-3-5-17-10(16-4-2)8-6-15-7-9(18-8)11(12,13)14/h4,6-7H,2-3,5H2,1H3,(H,16,17)
InChIKeyNEWQNQYEWHDWEP-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.39
Rot. Bonds4

About N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide

N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide (PubChem CID 123489567) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide
PubChem CID123489567
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC NameN-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide
SMILESC=CN/C(=N\CCC)c1cncc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N4/c1-3-5-17-10(16-4-2)8-6-15-7-9(18-8)11(12,13)14/h4,6-7H,2-3,5H2,1H3,(H,16,17)
InChIKeyNEWQNQYEWHDWEP-UHFFFAOYSA-N
XLogP2.39
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide?
The IUPAC name of N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide (CID 123489567) is N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide.
What is the SMILES notation for N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide?
The canonical SMILES for N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide is C=CN/C(=N\CCC)c1cncc(C(F)(F)F)n1.
What is the InChIKey of N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide?
The InChIKey is NEWQNQYEWHDWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-3-5-17-10(16-4-2)8-6-15-7-9(18-8)11(12,13)14/h4,6-7H,2-3,5H2,1H3,(H,16,17).
What are the key properties of N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide?
N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide has a molecular weight of 258.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide is sourced from PubChem (CID 123489567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).