(3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane

C13H19N3 — CID 15750214

IUPAC(3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCCCc1nccnc1[C@H]1CN2CC[C@H]1C2
InChIInChI=1S/C13H19N3/c1-2-3-12-13(15-6-5-14-12)11-9-16-7-4-10(11)8-16/h5-6,10-11H,2-4,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyBAWYEFKZQWTWQQ-QWRGUYRKSA-N
MW217.32 g/mol
LogP1.85
Rot. Bonds3

About (3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane

(3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 15750214) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID15750214
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCCCc1nccnc1[C@H]1CN2CC[C@H]1C2
InChIInChI=1S/C13H19N3/c1-2-3-12-13(15-6-5-14-12)11-9-16-7-4-10(11)8-16/h5-6,10-11H,2-4,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyBAWYEFKZQWTWQQ-QWRGUYRKSA-N
XLogP1.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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 (3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (CID 15750214) is (3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is CCCc1nccnc1[C@H]1CN2CC[C@H]1C2.
What is the InChIKey of (3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is BAWYEFKZQWTWQQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-3-12-13(15-6-5-14-12)11-9-16-7-4-10(11)8-16/h5-6,10-11H,2-4,7-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
(3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 217.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 15750214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).