5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile

C13H14N6 — CID 10753434

IUPAC5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile
SMILESC=CCNc1nc(C#N)c(C#N)nc1N1CCCC1
InChIInChI=1S/C13H14N6/c1-2-5-16-12-13(19-6-3-4-7-19)18-11(9-15)10(8-14)17-12/h2H,1,3-7H2,(H,16,17)
InChIKeyQAYTWEVFOPYPGK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.42
Rot. Bonds4

About 5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile

5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile (PubChem CID 10753434) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile
PubChem CID10753434
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile
SMILESC=CCNc1nc(C#N)c(C#N)nc1N1CCCC1
InChIInChI=1S/C13H14N6/c1-2-5-16-12-13(19-6-3-4-7-19)18-11(9-15)10(8-14)17-12/h2H,1,3-7H2,(H,16,17)
InChIKeyQAYTWEVFOPYPGK-UHFFFAOYSA-N
XLogP1.42
TPSA88.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile (CID 10753434) is 5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile is C=CCNc1nc(C#N)c(C#N)nc1N1CCCC1.
What is the InChIKey of 5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile?
The InChIKey is QAYTWEVFOPYPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-2-5-16-12-13(19-6-3-4-7-19)18-11(9-15)10(8-14)17-12/h2H,1,3-7H2,(H,16,17).
What are the key properties of 5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile?
5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 10753434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).