(2S)-2-phenyl-2-pyrazin-2-ylethanamine

C12H13N3 — CID 129371603

IUPAC(2S)-2-phenyl-2-pyrazin-2-ylethanamine
SMILESNC[C@H](c1ccccc1)c1cnccn1
InChIInChI=1S/C12H13N3/c13-8-11(10-4-2-1-3-5-10)12-9-14-6-7-15-12/h1-7,9,11H,8,13H2/t11-/m1/s1
InChIKeyDLIJZPWXXDJLRJ-LLVKDONJSA-N
MW199.26 g/mol
LogP1.57
Rot. Bonds3

About (2S)-2-phenyl-2-pyrazin-2-ylethanamine

(2S)-2-phenyl-2-pyrazin-2-ylethanamine (PubChem CID 129371603) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is (2S)-2-phenyl-2-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name(2S)-2-phenyl-2-pyrazin-2-ylethanamine
PubChem CID129371603
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name(2S)-2-phenyl-2-pyrazin-2-ylethanamine
SMILESNC[C@H](c1ccccc1)c1cnccn1
InChIInChI=1S/C12H13N3/c13-8-11(10-4-2-1-3-5-10)12-9-14-6-7-15-12/h1-7,9,11H,8,13H2/t11-/m1/s1
InChIKeyDLIJZPWXXDJLRJ-LLVKDONJSA-N
XLogP1.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-pyrazin-2-ylethanamine?
The IUPAC name of (2S)-2-phenyl-2-pyrazin-2-ylethanamine (CID 129371603) is (2S)-2-phenyl-2-pyrazin-2-ylethanamine.
What is the SMILES notation for (2S)-2-phenyl-2-pyrazin-2-ylethanamine?
The canonical SMILES for (2S)-2-phenyl-2-pyrazin-2-ylethanamine is NC[C@H](c1ccccc1)c1cnccn1.
What is the InChIKey of (2S)-2-phenyl-2-pyrazin-2-ylethanamine?
The InChIKey is DLIJZPWXXDJLRJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13N3/c13-8-11(10-4-2-1-3-5-10)12-9-14-6-7-15-12/h1-7,9,11H,8,13H2/t11-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-pyrazin-2-ylethanamine?
(2S)-2-phenyl-2-pyrazin-2-ylethanamine has a molecular weight of 199.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-pyrazin-2-ylethanamine is sourced from PubChem (CID 129371603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).