7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

C12H17N3O2 — CID 84586688

IUPAC7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCOc1nccnc1N1CCC2(CCOC2)C1
InChIInChI=1S/C12H17N3O2/c1-16-11-10(13-4-5-14-11)15-6-2-12(8-15)3-7-17-9-12/h4-5H,2-3,6-9H2,1H3
InChIKeyXYKNSHWSBBTOAH-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.10
Rot. Bonds2

About 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 84586688) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID84586688
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCOc1nccnc1N1CCC2(CCOC2)C1
InChIInChI=1S/C12H17N3O2/c1-16-11-10(13-4-5-14-11)15-6-2-12(8-15)3-7-17-9-12/h4-5H,2-3,6-9H2,1H3
InChIKeyXYKNSHWSBBTOAH-UHFFFAOYSA-N
XLogP1.10
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane 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 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane (CID 84586688) is 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane is COc1nccnc1N1CCC2(CCOC2)C1.
What is the InChIKey of 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is XYKNSHWSBBTOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-16-11-10(13-4-5-14-11)15-6-2-12(8-15)3-7-17-9-12/h4-5H,2-3,6-9H2,1H3.
What are the key properties of 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 235.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 84586688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).