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

C12H17N3 — CID 19784201

IUPAC3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCCc1nccnc1C1CN2CCC1C2
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
InChIKeyJDQFUQVGFYGHNP-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.46
Rot. Bonds2

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

3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 19784201) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID19784201
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCCc1nccnc1C1CN2CCC1C2
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
InChIKeyJDQFUQVGFYGHNP-UHFFFAOYSA-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

Analyze 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane
CID 9815373
(6R)-6-pyrazin-2-yl-1-azabicyclo[3.2.1]octane
CID 71450874
(3R)-3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71454462
(3R)-3-pyrazin-2-yl-1-azabicyclo[2.2.1]heptane
CID 71459913
3-(3-Methyl-pyrazin-2-yl)-1-aza-bicyclo[2.2.2]octane
CID 15750155
Pyrazine, 2-methyl-3-(3-methylbutyl)-
CID 122940
3-(3,6-Dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane
CID 15750158
3-(6-Ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 44334054
3-(3-Propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 44334339
3-(3-Propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
CID 54584690
(3S)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
CID 70687132
(3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
CID 70689200

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (CID 19784201) is 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is CCc1nccnc1C1CN2CCC1C2.
What is the InChIKey of 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is JDQFUQVGFYGHNP-UHFFFAOYSA-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.
What are the key properties of 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
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 3-(3-ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 19784201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).