5-amino-2H-pyrazine-1-carbonitrile

C5H6N4 — CID 87133394

IUPAC5-amino-2H-pyrazine-1-carbonitrile
SMILESN#CN1C=C(N)N=CC1
InChIInChI=1S/C5H6N4/c6-4-9-2-1-8-5(7)3-9/h1,3H,2,7H2
InChIKeyJTIJSPGYODBQDC-UHFFFAOYSA-N
MW122.13 g/mol
LogP-0.39
Rot. Bonds

About 5-amino-2H-pyrazine-1-carbonitrile

5-amino-2H-pyrazine-1-carbonitrile (PubChem CID 87133394) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 5-amino-2H-pyrazine-1-carbonitrile.

Molecular Properties

Compound Name5-amino-2H-pyrazine-1-carbonitrile
PubChem CID87133394
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name5-amino-2H-pyrazine-1-carbonitrile
SMILESN#CN1C=C(N)N=CC1
InChIInChI=1S/C5H6N4/c6-4-9-2-1-8-5(7)3-9/h1,3H,2,7H2
InChIKeyJTIJSPGYODBQDC-UHFFFAOYSA-N
XLogP-0.39
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2H-pyrazine-1-carbonitrile?
The IUPAC name of 5-amino-2H-pyrazine-1-carbonitrile (CID 87133394) is 5-amino-2H-pyrazine-1-carbonitrile.
What is the SMILES notation for 5-amino-2H-pyrazine-1-carbonitrile?
The canonical SMILES for 5-amino-2H-pyrazine-1-carbonitrile is N#CN1C=C(N)N=CC1.
What is the InChIKey of 5-amino-2H-pyrazine-1-carbonitrile?
The InChIKey is JTIJSPGYODBQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c6-4-9-2-1-8-5(7)3-9/h1,3H,2,7H2.
What are the key properties of 5-amino-2H-pyrazine-1-carbonitrile?
5-amino-2H-pyrazine-1-carbonitrile has a molecular weight of 122.13 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2H-pyrazine-1-carbonitrile is sourced from PubChem (CID 87133394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).