6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine

C16H19N3 — CID 116506952

IUPAC6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C16H19N3/c1-2-18-16-11-17-10-15(19-16)14-8-6-13(7-9-14)12-4-3-5-12/h6-12H,2-5H2,1H3,(H,18,19)
InChIKeyOOMOBIYHGMINFV-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.84
Rot. Bonds4

About 6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine

6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine (PubChem CID 116506952) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine
PubChem CID116506952
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C16H19N3/c1-2-18-16-11-17-10-15(19-16)14-8-6-13(7-9-14)12-4-3-5-12/h6-12H,2-5H2,1H3,(H,18,19)
InChIKeyOOMOBIYHGMINFV-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine?
The IUPAC name of 6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine (CID 116506952) is 6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine is CCNc1cncc(-c2ccc(C3CCC3)cc2)n1.
What is the InChIKey of 6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine?
The InChIKey is OOMOBIYHGMINFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-18-16-11-17-10-15(19-16)14-8-6-13(7-9-14)12-4-3-5-12/h6-12H,2-5H2,1H3,(H,18,19).
What are the key properties of 6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine?
6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine is sourced from PubChem (CID 116506952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).