3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C11H15N3O — CID 63969005

IUPAC3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cnccn2)CC2CCC(C1)N2
InChIInChI=1S/C11H15N3O/c15-11(10-7-12-3-4-13-10)5-8-1-2-9(6-11)14-8/h3-4,7-9,14-15H,1-2,5-6H2
InChIKeyNSNHSHLSCDOBEJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.58
Rot. Bonds1

About 3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol

3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63969005) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63969005
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cnccn2)CC2CCC(C1)N2
InChIInChI=1S/C11H15N3O/c15-11(10-7-12-3-4-13-10)5-8-1-2-9(6-11)14-8/h3-4,7-9,14-15H,1-2,5-6H2
InChIKeyNSNHSHLSCDOBEJ-UHFFFAOYSA-N
XLogP0.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 63969005) is 3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2cnccn2)CC2CCC(C1)N2.
What is the InChIKey of 3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NSNHSHLSCDOBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11(10-7-12-3-4-13-10)5-8-1-2-9(6-11)14-8/h3-4,7-9,14-15H,1-2,5-6H2.
What are the key properties of 3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 205.26 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63969005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).