3-(2-aminopropylamino)pyrazine-2-carbonitrile

C8H11N5 — CID 63731086

IUPAC3-(2-aminopropylamino)pyrazine-2-carbonitrile
SMILESCC(N)CNc1nccnc1C#N
InChIInChI=1S/C8H11N5/c1-6(10)5-13-8-7(4-9)11-2-3-12-8/h2-3,6H,5,10H2,1H3,(H,12,13)
InChIKeyHKPISSWQICWWLZ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.11
Rot. Bonds3

About 3-(2-aminopropylamino)pyrazine-2-carbonitrile

3-(2-aminopropylamino)pyrazine-2-carbonitrile (PubChem CID 63731086) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-(2-aminopropylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-aminopropylamino)pyrazine-2-carbonitrile
PubChem CID63731086
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name3-(2-aminopropylamino)pyrazine-2-carbonitrile
SMILESCC(N)CNc1nccnc1C#N
InChIInChI=1S/C8H11N5/c1-6(10)5-13-8-7(4-9)11-2-3-12-8/h2-3,6H,5,10H2,1H3,(H,12,13)
InChIKeyHKPISSWQICWWLZ-UHFFFAOYSA-N
XLogP0.11
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-aminopropylamino)pyrazine-2-carbonitrile (CID 63731086) is 3-(2-aminopropylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-aminopropylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-aminopropylamino)pyrazine-2-carbonitrile is CC(N)CNc1nccnc1C#N.
What is the InChIKey of 3-(2-aminopropylamino)pyrazine-2-carbonitrile?
The InChIKey is HKPISSWQICWWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-6(10)5-13-8-7(4-9)11-2-3-12-8/h2-3,6H,5,10H2,1H3,(H,12,13).
What are the key properties of 3-(2-aminopropylamino)pyrazine-2-carbonitrile?
3-(2-aminopropylamino)pyrazine-2-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 63731086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).