3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol

C10H13N3O — CID 19784193

IUPAC3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol
SMILESOC1(c2cnccn2)CN2CCC1C2
InChIInChI=1S/C10H13N3O/c14-10(9-5-11-2-3-12-9)7-13-4-1-8(10)6-13/h2-3,5,8,14H,1,4,6-7H2
InChIKeyJUQSTQDEWMXUEP-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.00
Rot. Bonds1

About 3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol

3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol (PubChem CID 19784193) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol.

Molecular Properties

Compound Name3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol
PubChem CID19784193
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol
SMILESOC1(c2cnccn2)CN2CCC1C2
InChIInChI=1S/C10H13N3O/c14-10(9-5-11-2-3-12-9)7-13-4-1-8(10)6-13/h2-3,5,8,14H,1,4,6-7H2
InChIKeyJUQSTQDEWMXUEP-UHFFFAOYSA-N
XLogP-0.00
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol?
The IUPAC name of 3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol (CID 19784193) is 3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol.
What is the SMILES notation for 3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol?
The canonical SMILES for 3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol is OC1(c2cnccn2)CN2CCC1C2.
What is the InChIKey of 3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol?
The InChIKey is JUQSTQDEWMXUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(9-5-11-2-3-12-9)7-13-4-1-8(10)6-13/h2-3,5,8,14H,1,4,6-7H2.
What are the key properties of 3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol?
3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol has a molecular weight of 191.23 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptan-3-ol is sourced from PubChem (CID 19784193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).