(4-cyclobutylphenyl)-pyrazin-2-ylmethanamine

C15H17N3 — CID 116505926

IUPAC(4-cyclobutylphenyl)-pyrazin-2-ylmethanamine
SMILESNC(c1ccc(C2CCC2)cc1)c1cnccn1
InChIInChI=1S/C15H17N3/c16-15(14-10-17-8-9-18-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,15H,1-3,16H2
InChIKeyZKCSFDOSSXFPBW-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.79
Rot. Bonds3

About (4-cyclobutylphenyl)-pyrazin-2-ylmethanamine

(4-cyclobutylphenyl)-pyrazin-2-ylmethanamine (PubChem CID 116505926) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-pyrazin-2-ylmethanamine
PubChem CID116505926
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name(4-cyclobutylphenyl)-pyrazin-2-ylmethanamine
SMILESNC(c1ccc(C2CCC2)cc1)c1cnccn1
InChIInChI=1S/C15H17N3/c16-15(14-10-17-8-9-18-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,15H,1-3,16H2
InChIKeyZKCSFDOSSXFPBW-UHFFFAOYSA-N
XLogP2.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-pyrazin-2-ylmethanamine?
The IUPAC name of (4-cyclobutylphenyl)-pyrazin-2-ylmethanamine (CID 116505926) is (4-cyclobutylphenyl)-pyrazin-2-ylmethanamine.
What is the SMILES notation for (4-cyclobutylphenyl)-pyrazin-2-ylmethanamine?
The canonical SMILES for (4-cyclobutylphenyl)-pyrazin-2-ylmethanamine is NC(c1ccc(C2CCC2)cc1)c1cnccn1.
What is the InChIKey of (4-cyclobutylphenyl)-pyrazin-2-ylmethanamine?
The InChIKey is ZKCSFDOSSXFPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-15(14-10-17-8-9-18-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,15H,1-3,16H2.
What are the key properties of (4-cyclobutylphenyl)-pyrazin-2-ylmethanamine?
(4-cyclobutylphenyl)-pyrazin-2-ylmethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-pyrazin-2-ylmethanamine is sourced from PubChem (CID 116505926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).