1-phenyl-2-pyrazin-2-ylbutan-1-amine

C14H17N3 — CID 57009177

IUPAC1-phenyl-2-pyrazin-2-ylbutan-1-amine
SMILESCCC(c1cnccn1)C(N)c1ccccc1
InChIInChI=1S/C14H17N3/c1-2-12(13-10-16-8-9-17-13)14(15)11-6-4-3-5-7-11/h3-10,12,14H,2,15H2,1H3
InChIKeyONEOMPWSDASGIF-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.67
Rot. Bonds4

About 1-phenyl-2-pyrazin-2-ylbutan-1-amine

1-phenyl-2-pyrazin-2-ylbutan-1-amine (PubChem CID 57009177) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-phenyl-2-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-phenyl-2-pyrazin-2-ylbutan-1-amine
PubChem CID57009177
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-phenyl-2-pyrazin-2-ylbutan-1-amine
SMILESCCC(c1cnccn1)C(N)c1ccccc1
InChIInChI=1S/C14H17N3/c1-2-12(13-10-16-8-9-17-13)14(15)11-6-4-3-5-7-11/h3-10,12,14H,2,15H2,1H3
InChIKeyONEOMPWSDASGIF-UHFFFAOYSA-N
XLogP2.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-2-pyrazin-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 1-phenyl-2-pyrazin-2-ylbutan-1-amine (CID 57009177) is 1-phenyl-2-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 1-phenyl-2-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 1-phenyl-2-pyrazin-2-ylbutan-1-amine is CCC(c1cnccn1)C(N)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyrazin-2-ylbutan-1-amine?
The InChIKey is ONEOMPWSDASGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-12(13-10-16-8-9-17-13)14(15)11-6-4-3-5-7-11/h3-10,12,14H,2,15H2,1H3.
What are the key properties of 1-phenyl-2-pyrazin-2-ylbutan-1-amine?
1-phenyl-2-pyrazin-2-ylbutan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 57009177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).