5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine

C11H10F3N3 — CID 146752346

IUPAC5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine
SMILESNc1cnc(C2=CCCC(C(F)(F)F)=C2)cn1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)8-3-1-2-7(4-8)9-5-17-10(15)6-16-9/h2,4-6H,1,3H2,(H2,15,17)
InChIKeyRNQMCQBWGPAXGK-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.72
Rot. Bonds1

About 5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine

5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine (PubChem CID 146752346) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine
PubChem CID146752346
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine
SMILESNc1cnc(C2=CCCC(C(F)(F)F)=C2)cn1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)8-3-1-2-7(4-8)9-5-17-10(15)6-16-9/h2,4-6H,1,3H2,(H2,15,17)
InChIKeyRNQMCQBWGPAXGK-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine?
The IUPAC name of 5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine (CID 146752346) is 5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine is Nc1cnc(C2=CCCC(C(F)(F)F)=C2)cn1.
What is the InChIKey of 5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine?
The InChIKey is RNQMCQBWGPAXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)8-3-1-2-7(4-8)9-5-17-10(15)6-16-9/h2,4-6H,1,3H2,(H2,15,17).
What are the key properties of 5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine?
5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine has a molecular weight of 241.22 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine is sourced from PubChem (CID 146752346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).