[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine

C12H12FN3O — CID 104516141

IUPAC[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine
SMILESCOc1nccnc1-c1ccc(F)c(CN)c1
InChIInChI=1S/C12H12FN3O/c1-17-12-11(15-4-5-16-12)8-2-3-10(13)9(6-8)7-14/h2-6H,7,14H2,1H3
InChIKeyVJYKBKRZIOSRCS-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.75
Rot. Bonds3

About [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine

[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine (PubChem CID 104516141) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine
PubChem CID104516141
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine
SMILESCOc1nccnc1-c1ccc(F)c(CN)c1
InChIInChI=1S/C12H12FN3O/c1-17-12-11(15-4-5-16-12)8-2-3-10(13)9(6-8)7-14/h2-6H,7,14H2,1H3
InChIKeyVJYKBKRZIOSRCS-UHFFFAOYSA-N
XLogP1.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]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 [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine (CID 104516141) is [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine is COc1nccnc1-c1ccc(F)c(CN)c1.
What is the InChIKey of [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine?
The InChIKey is VJYKBKRZIOSRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-12-11(15-4-5-16-12)8-2-3-10(13)9(6-8)7-14/h2-6H,7,14H2,1H3.
What are the key properties of [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine?
[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine has a molecular weight of 233.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine is sourced from PubChem (CID 104516141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).