N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide

C12H13F3N4 — CID 123915397

IUPACN,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide
SMILESC=C(C)/N=C(\NC(=C)C)c1cncc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4/c1-7(2)17-11(18-8(3)4)9-5-16-6-10(19-9)12(13,14)15/h5-6H,1,3H2,2,4H3,(H,17,18)
InChIKeyUMEJYEILAAYXAC-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.90
Rot. Bonds3

About N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide

N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide (PubChem CID 123915397) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide
PubChem CID123915397
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide
SMILESC=C(C)/N=C(\NC(=C)C)c1cncc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4/c1-7(2)17-11(18-8(3)4)9-5-16-6-10(19-9)12(13,14)15/h5-6H,1,3H2,2,4H3,(H,17,18)
InChIKeyUMEJYEILAAYXAC-UHFFFAOYSA-N
XLogP2.90
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.90
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,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide?
The IUPAC name of N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide (CID 123915397) is N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide.
What is the SMILES notation for N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide?
The canonical SMILES for N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide is C=C(C)/N=C(\NC(=C)C)c1cncc(C(F)(F)F)n1.
What is the InChIKey of N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide?
The InChIKey is UMEJYEILAAYXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-7(2)17-11(18-8(3)4)9-5-16-6-10(19-9)12(13,14)15/h5-6H,1,3H2,2,4H3,(H,17,18).
What are the key properties of N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide?
N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide has a molecular weight of 270.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-1-en-2-yl)-6-(trifluoromethyl)pyrazine-2-carboximidamide is sourced from PubChem (CID 123915397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).