5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine

C12H11FN4 — CID 138490465

IUPAC5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine
SMILESC=C(C)c1nc(-c2cncc(F)c2)cnc1N
InChIInChI=1S/C12H11FN4/c1-7(2)11-12(14)16-6-10(17-11)8-3-9(13)5-15-4-8/h3-6H,1H2,2H3,(H2,14,16)
InChIKeyGDWHJUFDJBYTSL-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.29
Rot. Bonds2

About 5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine

5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine (PubChem CID 138490465) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine
PubChem CID138490465
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine
SMILESC=C(C)c1nc(-c2cncc(F)c2)cnc1N
InChIInChI=1S/C12H11FN4/c1-7(2)11-12(14)16-6-10(17-11)8-3-9(13)5-15-4-8/h3-6H,1H2,2H3,(H2,14,16)
InChIKeyGDWHJUFDJBYTSL-UHFFFAOYSA-N
XLogP2.29
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine (CID 138490465) is 5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine is C=C(C)c1nc(-c2cncc(F)c2)cnc1N.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine?
The InChIKey is GDWHJUFDJBYTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c1-7(2)11-12(14)16-6-10(17-11)8-3-9(13)5-15-4-8/h3-6H,1H2,2H3,(H2,14,16).
What are the key properties of 5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine?
5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine has a molecular weight of 230.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine is sourced from PubChem (CID 138490465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).