2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane

C14H18ClN3O — CID 155405922

IUPAC2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane
SMILESCOC12CC3CC(C1)N(c1cnc(Cl)cn1)C(C3)C2
InChIInChI=1S/C14H18ClN3O/c1-19-14-4-9-2-10(5-14)18(11(3-9)6-14)13-8-16-12(15)7-17-13/h7-11H,2-6H2,1H3
InChIKeyRAGXYROQSIPDMP-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.67
Rot. Bonds2

About 2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane

2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane (PubChem CID 155405922) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane
PubChem CID155405922
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane
SMILESCOC12CC3CC(C1)N(c1cnc(Cl)cn1)C(C3)C2
InChIInChI=1S/C14H18ClN3O/c1-19-14-4-9-2-10(5-14)18(11(3-9)6-14)13-8-16-12(15)7-17-13/h7-11H,2-6H2,1H3
InChIKeyRAGXYROQSIPDMP-UHFFFAOYSA-N
XLogP2.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane 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-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane (CID 155405922) is 2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane is COC12CC3CC(C1)N(c1cnc(Cl)cn1)C(C3)C2.
What is the InChIKey of 2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane?
The InChIKey is RAGXYROQSIPDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-19-14-4-9-2-10(5-14)18(11(3-9)6-14)13-8-16-12(15)7-17-13/h7-11H,2-6H2,1H3.
What are the key properties of 2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane?
2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane has a molecular weight of 279.77 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrazin-2-yl)-5-methoxy-2-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 155405922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).