3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile

C12H14N4O2 — CID 90636478

IUPAC3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESCCC(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C12H14N4O2/c1-2-11(17)16-6-3-9(8-16)18-12-10(7-13)14-4-5-15-12/h4-5,9H,2-3,6,8H2,1H3
InChIKeyAHWWJYBPGBZVBT-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.74
Rot. Bonds3

About 3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile

3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (PubChem CID 90636478) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
PubChem CID90636478
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESCCC(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C12H14N4O2/c1-2-11(17)16-6-3-9(8-16)18-12-10(7-13)14-4-5-15-12/h4-5,9H,2-3,6,8H2,1H3
InChIKeyAHWWJYBPGBZVBT-UHFFFAOYSA-N
XLogP0.74
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636477
N-[2-[(3R)-3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 100755123
3-[1-(4-oxo-4-phenylbutanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636451
3-[1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626812
3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755951
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818
3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626791
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636665
3-[1-(2-naphthalen-1-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636576
3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755466
3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754753
3-[(3S)-1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755211

Frequently Asked Questions

What is the IUPAC name of 3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The IUPAC name of 3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (CID 90636478) is 3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is CCC(=O)N1CCC(Oc2nccnc2C#N)C1.
What is the InChIKey of 3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The InChIKey is AHWWJYBPGBZVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-11(17)16-6-3-9(8-16)18-12-10(7-13)14-4-5-15-12/h4-5,9H,2-3,6,8H2,1H3.
What are the key properties of 3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is sourced from PubChem (CID 90636478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).