N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline

C12H10F3N3O — CID 55110265

IUPACN-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccccc1NCc1cnccn1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)19-11-4-2-1-3-10(11)18-8-9-7-16-5-6-17-9/h1-7,18H,8H2
InChIKeyJMEPQZIPVCQJPK-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.99
Rot. Bonds4

About N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline

N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline (PubChem CID 55110265) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline
PubChem CID55110265
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC NameN-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccccc1NCc1cnccn1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)19-11-4-2-1-3-10(11)18-8-9-7-16-5-6-17-9/h1-7,18H,8H2
InChIKeyJMEPQZIPVCQJPK-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline 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 N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline?
The IUPAC name of N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline (CID 55110265) is N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline is FC(F)(F)Oc1ccccc1NCc1cnccn1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline?
The InChIKey is JMEPQZIPVCQJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)19-11-4-2-1-3-10(11)18-8-9-7-16-5-6-17-9/h1-7,18H,8H2.
What are the key properties of N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline?
N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline has a molecular weight of 269.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 55110265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).