N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine

C16H20F3N3 — CID 23624338

IUPACN-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine
SMILESFC(F)(F)c1ccc(C2NCCN=C2NC2CCCC2)cc1
InChIInChI=1S/C16H20F3N3/c17-16(18,19)12-7-5-11(6-8-12)14-15(21-10-9-20-14)22-13-3-1-2-4-13/h5-8,13-14,20H,1-4,9-10H2,(H,21,22)
InChIKeyZOQHYNQVFBEGNL-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.28
Rot. Bonds2

About N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine

N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine (PubChem CID 23624338) has the molecular formula C16H20F3N3 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine
PubChem CID23624338
Molecular FormulaC16H20F3N3
Molecular Weight311.35 g/mol
Exact Mass311.16
IUPAC NameN-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine
SMILESFC(F)(F)c1ccc(C2NCCN=C2NC2CCCC2)cc1
InChIInChI=1S/C16H20F3N3/c17-16(18,19)12-7-5-11(6-8-12)14-15(21-10-9-20-14)22-13-3-1-2-4-13/h5-8,13-14,20H,1-4,9-10H2,(H,21,22)
InChIKeyZOQHYNQVFBEGNL-UHFFFAOYSA-N
XLogP3.28
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine?
The IUPAC name of N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine (CID 23624338) is N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine.
What is the SMILES notation for N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine?
The canonical SMILES for N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine is FC(F)(F)c1ccc(C2NCCN=C2NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine?
The InChIKey is ZOQHYNQVFBEGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3/c17-16(18,19)12-7-5-11(6-8-12)14-15(21-10-9-20-14)22-13-3-1-2-4-13/h5-8,13-14,20H,1-4,9-10H2,(H,21,22).
What are the key properties of N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine?
N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine has a molecular weight of 311.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine is sourced from PubChem (CID 23624338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).