pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide

C14H12N8O — CID 159756851

IUPACpyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide
SMILESN#Cc1cnccn1.NC(=O)c1cnccn1.c1cnccn1
InChIInChI=1S/C5H5N3O.C5H3N3.C4H4N2/c6-5(9)4-3-7-1-2-8-4;6-3-5-4-7-1-2-8-5;1-2-6-4-3-5-1/h1-3H,(H2,6,9);1-2,4H;1-4H
InChIKeyNEJKTFLFNOCPHZ-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.40
Rot. Bonds1

About pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide

pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide (PubChem CID 159756851) has the molecular formula C14H12N8O and a molecular weight of 308.31 g/mol. Its IUPAC name is pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide.

Molecular Properties

Compound Namepyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide
PubChem CID159756851
Molecular FormulaC14H12N8O
Molecular Weight308.31 g/mol
Exact Mass308.11
IUPAC Namepyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide
SMILESN#Cc1cnccn1.NC(=O)c1cnccn1.c1cnccn1
InChIInChI=1S/C5H5N3O.C5H3N3.C4H4N2/c6-5(9)4-3-7-1-2-8-4;6-3-5-4-7-1-2-8-5;1-2-6-4-3-5-1/h1-3H,(H2,6,9);1-2,4H;1-4H
InChIKeyNEJKTFLFNOCPHZ-UHFFFAOYSA-N
XLogP0.40
TPSA144.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide?
The IUPAC name of pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide (CID 159756851) is pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide.
What is the SMILES notation for pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide?
The canonical SMILES for pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide is N#Cc1cnccn1.NC(=O)c1cnccn1.c1cnccn1.
What is the InChIKey of pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide?
The InChIKey is NEJKTFLFNOCPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O.C5H3N3.C4H4N2/c6-5(9)4-3-7-1-2-8-4;6-3-5-4-7-1-2-8-5;1-2-6-4-3-5-1/h1-3H,(H2,6,9);1-2,4H;1-4H.
What are the key properties of pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide?
pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide is sourced from PubChem (CID 159756851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).