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

C11H15N3O — CID 19784174

IUPAC3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
SMILESCc1cncc(C2(O)CN3CCC2C3)n1
InChIInChI=1S/C11H15N3O/c1-8-4-12-5-10(13-8)11(15)7-14-3-2-9(11)6-14/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyTUANUCQTZXSPLZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.31
Rot. Bonds1

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

3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol (PubChem CID 19784174) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol.

Molecular Properties

Compound Name3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
PubChem CID19784174
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
SMILESCc1cncc(C2(O)CN3CCC2C3)n1
InChIInChI=1S/C11H15N3O/c1-8-4-12-5-10(13-8)11(15)7-14-3-2-9(11)6-14/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyTUANUCQTZXSPLZ-UHFFFAOYSA-N
XLogP0.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The IUPAC name of 3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol (CID 19784174) is 3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol.
What is the SMILES notation for 3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The canonical SMILES for 3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol is Cc1cncc(C2(O)CN3CCC2C3)n1.
What is the InChIKey of 3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
The InChIKey is TUANUCQTZXSPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-4-12-5-10(13-8)11(15)7-14-3-2-9(11)6-14/h4-5,9,15H,2-3,6-7H2,1H3.
What are the key properties of 3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol?
3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol has a molecular weight of 205.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol is sourced from PubChem (CID 19784174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).