3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine

C16H19N3 — CID 114607057

IUPAC3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine
SMILESCCNc1nccnc1-c1ccccc1C1CCC1
InChIInChI=1S/C16H19N3/c1-2-17-16-15(18-10-11-19-16)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-12H,2,5-7H2,1H3,(H,17,19)
InChIKeyTZFGDEXTSBUDNJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.84
Rot. Bonds4

About 3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine

3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine (PubChem CID 114607057) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine
PubChem CID114607057
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine
SMILESCCNc1nccnc1-c1ccccc1C1CCC1
InChIInChI=1S/C16H19N3/c1-2-17-16-15(18-10-11-19-16)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-12H,2,5-7H2,1H3,(H,17,19)
InChIKeyTZFGDEXTSBUDNJ-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 3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine?
The IUPAC name of 3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine (CID 114607057) is 3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine.
What is the SMILES notation for 3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine?
The canonical SMILES for 3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine is CCNc1nccnc1-c1ccccc1C1CCC1.
What is the InChIKey of 3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine?
The InChIKey is TZFGDEXTSBUDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-17-16-15(18-10-11-19-16)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-12H,2,5-7H2,1H3,(H,17,19).
What are the key properties of 3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine?
3-(2-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 3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine is sourced from PubChem (CID 114607057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).