(3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane

C10H13N3 — CID 71459913

IUPAC(3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane
SMILESc1cnc([C@H]2CN3CCC2C3)cn1
InChIInChI=1S/C10H13N3/c1-4-13-6-8(1)9(7-13)10-5-11-2-3-12-10/h2-3,5,8-9H,1,4,6-7H2/t8?,9-/m0/s1
InChIKeyAOKDDLNSLKZPSN-GKAPJAKFSA-N
MW175.24 g/mol
LogP0.90
Rot. Bonds1

About (3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane

(3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane (PubChem CID 71459913) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is (3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane
PubChem CID71459913
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name(3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane
SMILESc1cnc([C@H]2CN3CCC2C3)cn1
InChIInChI=1S/C10H13N3/c1-4-13-6-8(1)9(7-13)10-5-11-2-3-12-10/h2-3,5,8-9H,1,4,6-7H2/t8?,9-/m0/s1
InChIKeyAOKDDLNSLKZPSN-GKAPJAKFSA-N
XLogP0.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane (CID 71459913) is (3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane is c1cnc([C@H]2CN3CCC2C3)cn1.
What is the InChIKey of (3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane?
The InChIKey is AOKDDLNSLKZPSN-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-13-6-8(1)9(7-13)10-5-11-2-3-12-10/h2-3,5,8-9H,1,4,6-7H2/t8?,9-/m0/s1.
What are the key properties of (3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane?
(3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane has a molecular weight of 175.24 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 71459913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).