3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol

C12H17N3O — CID 19784188

IUPAC3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
SMILESCc1cnc(C)c(C2(O)CN3CCC2C3)n1
InChIInChI=1S/C12H17N3O/c1-8-5-13-9(2)11(14-8)12(16)7-15-4-3-10(12)6-15/h5,10,16H,3-4,6-7H2,1-2H3
InChIKeyPZUUDKAGTZLKAX-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.62
Rot. Bonds1

About 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol

3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol (PubChem CID 19784188) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol.

Molecular Properties

Compound Name3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
PubChem CID19784188
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
SMILESCc1cnc(C)c(C2(O)CN3CCC2C3)n1
InChIInChI=1S/C12H17N3O/c1-8-5-13-9(2)11(14-8)12(16)7-15-4-3-10(12)6-15/h5,10,16H,3-4,6-7H2,1-2H3
InChIKeyPZUUDKAGTZLKAX-UHFFFAOYSA-N
XLogP0.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The IUPAC name of 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol (CID 19784188) is 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol.
What is the SMILES notation for 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The canonical SMILES for 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol is Cc1cnc(C)c(C2(O)CN3CCC2C3)n1.
What is the InChIKey of 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The InChIKey is PZUUDKAGTZLKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-5-13-9(2)11(14-8)12(16)7-15-4-3-10(12)6-15/h5,10,16H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol has a molecular weight of 219.29 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol is sourced from PubChem (CID 19784188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).