[5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine

C13H12F3N3O2 — CID 87564390

IUPAC[5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine
SMILESCOc1ccc(Oc2cnc(CN)cn2)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O2/c1-20-9-2-3-11(10(4-9)13(14,15)16)21-12-7-18-8(5-17)6-19-12/h2-4,6-7H,5,17H2,1H3
InChIKeySYYHIXPUSTZROO-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.76
Rot. Bonds4

About [5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine

[5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine (PubChem CID 87564390) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is [5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine
PubChem CID87564390
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name[5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine
SMILESCOc1ccc(Oc2cnc(CN)cn2)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O2/c1-20-9-2-3-11(10(4-9)13(14,15)16)21-12-7-18-8(5-17)6-19-12/h2-4,6-7H,5,17H2,1H3
InChIKeySYYHIXPUSTZROO-UHFFFAOYSA-N
XLogP2.76
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[4-methoxy-2-(trifluoromethyl)phenoxy]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 [5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine?
The IUPAC name of [5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine (CID 87564390) is [5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine?
The canonical SMILES for [5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine is COc1ccc(Oc2cnc(CN)cn2)c(C(F)(F)F)c1.
What is the InChIKey of [5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine?
The InChIKey is SYYHIXPUSTZROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-20-9-2-3-11(10(4-9)13(14,15)16)21-12-7-18-8(5-17)6-19-12/h2-4,6-7H,5,17H2,1H3.
What are the key properties of [5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine?
[5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine has a molecular weight of 299.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine is sourced from PubChem (CID 87564390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).