1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane

C10H13N3 — CID 165450698

IUPAC1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane
SMILESc1cnc(C23CCC2CCN3)cn1
InChIInChI=1S/C10H13N3/c1-3-10(8(1)2-4-13-10)9-7-11-5-6-12-9/h5-8,13H,1-4H2
InChIKeyDBQFPSWQBAWDOK-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.08
Rot. Bonds1

About 1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane

1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane (PubChem CID 165450698) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane
PubChem CID165450698
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane
SMILESc1cnc(C23CCC2CCN3)cn1
InChIInChI=1S/C10H13N3/c1-3-10(8(1)2-4-13-10)9-7-11-5-6-12-9/h5-8,13H,1-4H2
InChIKeyDBQFPSWQBAWDOK-UHFFFAOYSA-N
XLogP1.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane?
The IUPAC name of 1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane (CID 165450698) is 1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane?
The canonical SMILES for 1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane is c1cnc(C23CCC2CCN3)cn1.
What is the InChIKey of 1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane?
The InChIKey is DBQFPSWQBAWDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-10(8(1)2-4-13-10)9-7-11-5-6-12-9/h5-8,13H,1-4H2.
What are the key properties of 1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane?
1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane has a molecular weight of 175.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-2-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 165450698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).