3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol

C12H17N3O — CID 54315668

IUPAC3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
SMILESCCc1nccnc1C1(O)CN2CCC1C2
InChIInChI=1S/C12H17N3O/c1-2-10-11(14-5-4-13-10)12(16)8-15-6-3-9(12)7-15/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeySNZGPJSLCKGZBE-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.56
Rot. Bonds2

About 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol

3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol (PubChem CID 54315668) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol.

Molecular Properties

Compound Name3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
PubChem CID54315668
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
SMILESCCc1nccnc1C1(O)CN2CCC1C2
InChIInChI=1S/C12H17N3O/c1-2-10-11(14-5-4-13-10)12(16)8-15-6-3-9(12)7-15/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeySNZGPJSLCKGZBE-UHFFFAOYSA-N
XLogP0.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The IUPAC name of 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol (CID 54315668) is 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol.
What is the SMILES notation for 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The canonical SMILES for 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol is CCc1nccnc1C1(O)CN2CCC1C2.
What is the InChIKey of 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The InChIKey is SNZGPJSLCKGZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-10-11(14-5-4-13-10)12(16)8-15-6-3-9(12)7-15/h4-5,9,16H,2-3,6-8H2,1H3.
What are the key properties of 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol has a molecular weight of 219.29 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol is sourced from PubChem (CID 54315668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).