6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine

C13H15F3N4 — CID 141428699

IUPAC6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine
SMILESC/C=C(\C)c1cn2ccnc2c(NCCC(F)(F)F)n1
InChIInChI=1S/C13H15F3N4/c1-3-9(2)10-8-20-7-6-18-12(20)11(19-10)17-5-4-13(14,15)16/h3,6-8H,4-5H2,1-2H3,(H,17,19)/b9-3+
InChIKeyKNRYGUDQGWTDKW-YCRREMRBSA-N
MW284.29 g/mol
LogP3.52
Rot. Bonds4

About 6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine

6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 141428699) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID141428699
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine
SMILESC/C=C(\C)c1cn2ccnc2c(NCCC(F)(F)F)n1
InChIInChI=1S/C13H15F3N4/c1-3-9(2)10-8-20-7-6-18-12(20)11(19-10)17-5-4-13(14,15)16/h3,6-8H,4-5H2,1-2H3,(H,17,19)/b9-3+
InChIKeyKNRYGUDQGWTDKW-YCRREMRBSA-N
XLogP3.52
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine (CID 141428699) is 6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine is C/C=C(\C)c1cn2ccnc2c(NCCC(F)(F)F)n1.
What is the InChIKey of 6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is KNRYGUDQGWTDKW-YCRREMRBSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-3-9(2)10-8-20-7-6-18-12(20)11(19-10)17-5-4-13(14,15)16/h3,6-8H,4-5H2,1-2H3,(H,17,19)/b9-3+.
What are the key properties of 6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine?
6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 284.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-en-2-yl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 141428699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).