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

C12H17N3 — CID 71459873

IUPAC(3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCCc1nccnc1[C@H]1CN2CCC1C2
InChIInChI=1S/C12H17N3/c1-2-11-12(14-5-4-13-11)10-8-15-6-3-9(10)7-15/h4-5,9-10H,2-3,6-8H2,1H3/t9?,10-/m0/s1
InChIKeyJDQFUQVGFYGHNP-AXDSSHIGSA-N
MW203.29 g/mol
LogP1.46
Rot. Bonds2

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

(3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 71459873) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID71459873
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCCc1nccnc1[C@H]1CN2CCC1C2
InChIInChI=1S/C12H17N3/c1-2-11-12(14-5-4-13-11)10-8-15-6-3-9(10)7-15/h4-5,9-10H,2-3,6-8H2,1H3/t9?,10-/m0/s1
InChIKeyJDQFUQVGFYGHNP-AXDSSHIGSA-N
XLogP1.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (CID 71459873) is (3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is CCc1nccnc1[C@H]1CN2CCC1C2.
What is the InChIKey of (3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is JDQFUQVGFYGHNP-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-11-12(14-5-4-13-11)10-8-15-6-3-9(10)7-15/h4-5,9-10H,2-3,6-8H2,1H3/t9?,10-/m0/s1.
What are the key properties of (3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
(3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 203.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 71459873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).