[3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine

C12H12FN3O — CID 63933442

IUPAC[3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine
SMILESNCc1nccnc1OCc1ccccc1F
InChIInChI=1S/C12H12FN3O/c13-10-4-2-1-3-9(10)8-17-12-11(7-14)15-5-6-16-12/h1-6H,7-8,14H2
InChIKeyJNCRJTZWVJFDGH-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.65
Rot. Bonds4

About [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine

[3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine (PubChem CID 63933442) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine
PubChem CID63933442
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name[3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine
SMILESNCc1nccnc1OCc1ccccc1F
InChIInChI=1S/C12H12FN3O/c13-10-4-2-1-3-9(10)8-17-12-11(7-14)15-5-6-16-12/h1-6H,7-8,14H2
InChIKeyJNCRJTZWVJFDGH-UHFFFAOYSA-N
XLogP1.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine 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 [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine?
The IUPAC name of [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine (CID 63933442) is [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine?
The canonical SMILES for [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine is NCc1nccnc1OCc1ccccc1F.
What is the InChIKey of [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine?
The InChIKey is JNCRJTZWVJFDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-4-2-1-3-9(10)8-17-12-11(7-14)15-5-6-16-12/h1-6H,7-8,14H2.
What are the key properties of [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine?
[3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine has a molecular weight of 233.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methoxy]pyrazin-2-yl]methanamine is sourced from PubChem (CID 63933442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).