6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane

C13H16F3N3O — CID 170785055

IUPAC6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane
SMILESCOc1nc(C(F)(F)F)cnc1CC1CC2(CNC2)C1
InChIInChI=1S/C13H16F3N3O/c1-20-11-9(18-5-10(19-11)13(14,15)16)2-8-3-12(4-8)6-17-7-12/h5,8,17H,2-4,6-7H2,1H3
InChIKeySSNXHQQATQBSEZ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.05
Rot. Bonds3

About 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane

6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane (PubChem CID 170785055) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane
PubChem CID170785055
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane
SMILESCOc1nc(C(F)(F)F)cnc1CC1CC2(CNC2)C1
InChIInChI=1S/C13H16F3N3O/c1-20-11-9(18-5-10(19-11)13(14,15)16)2-8-3-12(4-8)6-17-7-12/h5,8,17H,2-4,6-7H2,1H3
InChIKeySSNXHQQATQBSEZ-UHFFFAOYSA-N
XLogP2.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane 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 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane (CID 170785055) is 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane is COc1nc(C(F)(F)F)cnc1CC1CC2(CNC2)C1.
What is the InChIKey of 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane?
The InChIKey is SSNXHQQATQBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-20-11-9(18-5-10(19-11)13(14,15)16)2-8-3-12(4-8)6-17-7-12/h5,8,17H,2-4,6-7H2,1H3.
What are the key properties of 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane?
6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane has a molecular weight of 287.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-methoxy-5-(trifluoromethyl)pyrazin-2-yl]methyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 170785055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).