3-cyanopyrazine-2-carboxamide

C6H4N4O — CID 12747373

IUPAC3-cyanopyrazine-2-carboxamide
SMILESN#Cc1nccnc1C(N)=O
InChIInChI=1S/C6H4N4O/c7-3-4-5(6(8)11)10-2-1-9-4/h1-2H,(H2,8,11)
InChIKeyHYELGFFHLBUUOH-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.55
Rot. Bonds1

About 3-cyanopyrazine-2-carboxamide

3-cyanopyrazine-2-carboxamide (PubChem CID 12747373) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is 3-cyanopyrazine-2-carboxamide.

Molecular Properties

Compound Name3-cyanopyrazine-2-carboxamide
PubChem CID12747373
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC Name3-cyanopyrazine-2-carboxamide
SMILESN#Cc1nccnc1C(N)=O
InChIInChI=1S/C6H4N4O/c7-3-4-5(6(8)11)10-2-1-9-4/h1-2H,(H2,8,11)
InChIKeyHYELGFFHLBUUOH-UHFFFAOYSA-N
XLogP-0.55
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyanopyrazine-2-carboxamide?
The IUPAC name of 3-cyanopyrazine-2-carboxamide (CID 12747373) is 3-cyanopyrazine-2-carboxamide.
What is the SMILES notation for 3-cyanopyrazine-2-carboxamide?
The canonical SMILES for 3-cyanopyrazine-2-carboxamide is N#Cc1nccnc1C(N)=O.
What is the InChIKey of 3-cyanopyrazine-2-carboxamide?
The InChIKey is HYELGFFHLBUUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O/c7-3-4-5(6(8)11)10-2-1-9-4/h1-2H,(H2,8,11).
What are the key properties of 3-cyanopyrazine-2-carboxamide?
3-cyanopyrazine-2-carboxamide has a molecular weight of 148.12 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanopyrazine-2-carboxamide is sourced from PubChem (CID 12747373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).