(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine

C13H18F3N3O — CID 105178714

IUPAC(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCOc1nccnc1C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-20-12-11(18-6-7-19-12)10(17)8-4-2-3-5-9(8)13(14,15)16/h6-10H,2-5,17H2,1H3
InChIKeyQOSNJFZTIQLOPA-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.85
Rot. Bonds3

About (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine

(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105178714) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105178714
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCOc1nccnc1C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c1-20-12-11(18-6-7-19-12)10(17)8-4-2-3-5-9(8)13(14,15)16/h6-10H,2-5,17H2,1H3
InChIKeyQOSNJFZTIQLOPA-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]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-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105178714) is (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine is COc1nccnc1C(N)C1CCCCC1C(F)(F)F.
What is the InChIKey of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is QOSNJFZTIQLOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-20-12-11(18-6-7-19-12)10(17)8-4-2-3-5-9(8)13(14,15)16/h6-10H,2-5,17H2,1H3.
What are the key properties of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 289.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105178714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).