2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile

C10H6N4O — CID 13456641

IUPAC2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cnccn2)c[nH]c1=O
InChIInChI=1S/C10H6N4O/c11-4-7-3-8(5-14-10(7)15)9-6-12-1-2-13-9/h1-3,5-6H,(H,14,15)
InChIKeyWNGMDSRHZMKSHK-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.70
Rot. Bonds1

About 2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile

2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 13456641) has the molecular formula C10H6N4O and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile
PubChem CID13456641
Molecular FormulaC10H6N4O
Molecular Weight198.18 g/mol
Exact Mass198.05
IUPAC Name2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cnccn2)c[nH]c1=O
InChIInChI=1S/C10H6N4O/c11-4-7-3-8(5-14-10(7)15)9-6-12-1-2-13-9/h1-3,5-6H,(H,14,15)
InChIKeyWNGMDSRHZMKSHK-UHFFFAOYSA-N
XLogP0.70
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile (CID 13456641) is 2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile is N#Cc1cc(-c2cnccn2)c[nH]c1=O.
What is the InChIKey of 2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is WNGMDSRHZMKSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c11-4-7-3-8(5-14-10(7)15)9-6-12-1-2-13-9/h1-3,5-6H,(H,14,15).
What are the key properties of 2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile?
2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 198.18 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-pyrazin-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 13456641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).