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

C13H19N3 — CID 15750216

IUPAC(3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCC(C)c1nccnc1[C@H]1CN2CC[C@H]1C2
InChIInChI=1S/C13H19N3/c1-9(2)12-13(15-5-4-14-12)11-8-16-6-3-10(11)7-16/h4-5,9-11H,3,6-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyGIAVJPVIVDWZEO-QWRGUYRKSA-N
MW217.32 g/mol
LogP2.02
Rot. Bonds2

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

(3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 15750216) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID15750216
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCC(C)c1nccnc1[C@H]1CN2CC[C@H]1C2
InChIInChI=1S/C13H19N3/c1-9(2)12-13(15-5-4-14-12)11-8-16-6-3-10(11)7-16/h4-5,9-11H,3,6-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyGIAVJPVIVDWZEO-QWRGUYRKSA-N
XLogP2.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19784182
(3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 15750214
3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane
CID 10036553
5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 14763567
(3R)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71454461
5-(1-azabicyclo[2.2.1]heptan-3-yl)-2-ethyl-1,3-oxazole
CID 19432892
(3R)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71458009
3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19432891
4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine
CID 19018574
3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane
CID 15750249
3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-ethylsulfanyl-1,2,5-thiadiazole
CID 10736306
N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364634

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (CID 15750216) is (3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is CC(C)c1nccnc1[C@H]1CN2CC[C@H]1C2.
What is the InChIKey of (3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is GIAVJPVIVDWZEO-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)12-13(15-5-4-14-12)11-8-16-6-3-10(11)7-16/h4-5,9-11H,3,6-8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
(3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 217.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 15750216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).