6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine

C11H13ClF3N3 — CID 133333840

IUPAC6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine
SMILESFC(F)(F)C1CCCC(Nc2cncc(Cl)n2)C1
InChIInChI=1S/C11H13ClF3N3/c12-9-5-16-6-10(18-9)17-8-3-1-2-7(4-8)11(13,14)15/h5-8H,1-4H2,(H,17,18)
InChIKeyAVPYSTYHYWYTOG-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.66
Rot. Bonds2

About 6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine

6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine (PubChem CID 133333840) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine
PubChem CID133333840
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine
SMILESFC(F)(F)C1CCCC(Nc2cncc(Cl)n2)C1
InChIInChI=1S/C11H13ClF3N3/c12-9-5-16-6-10(18-9)17-8-3-1-2-7(4-8)11(13,14)15/h5-8H,1-4H2,(H,17,18)
InChIKeyAVPYSTYHYWYTOG-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine (CID 133333840) is 6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine is FC(F)(F)C1CCCC(Nc2cncc(Cl)n2)C1.
What is the InChIKey of 6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine?
The InChIKey is AVPYSTYHYWYTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c12-9-5-16-6-10(18-9)17-8-3-1-2-7(4-8)11(13,14)15/h5-8H,1-4H2,(H,17,18).
What are the key properties of 6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine?
6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine has a molecular weight of 279.69 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(trifluoromethyl)cyclohexyl]pyrazin-2-amine is sourced from PubChem (CID 133333840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).