N-(3-cyano-5-phenylpyrazin-2-yl)formamide

C12H8N4O — CID 820158

IUPACN-(3-cyano-5-phenylpyrazin-2-yl)formamide
SMILESN#Cc1nc(-c2ccccc2)cnc1NC=O
InChIInChI=1S/C12H8N4O/c13-6-10-12(15-8-17)14-7-11(16-10)9-4-2-1-3-5-9/h1-5,7-8H,(H,14,15,17)
InChIKeyYOLNZYPKYVOTDK-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.58
Rot. Bonds3

About N-(3-cyano-5-phenylpyrazin-2-yl)formamide

N-(3-cyano-5-phenylpyrazin-2-yl)formamide (PubChem CID 820158) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(3-cyano-5-phenylpyrazin-2-yl)formamide.

Molecular Properties

Compound NameN-(3-cyano-5-phenylpyrazin-2-yl)formamide
PubChem CID820158
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC NameN-(3-cyano-5-phenylpyrazin-2-yl)formamide
SMILESN#Cc1nc(-c2ccccc2)cnc1NC=O
InChIInChI=1S/C12H8N4O/c13-6-10-12(15-8-17)14-7-11(16-10)9-4-2-1-3-5-9/h1-5,7-8H,(H,14,15,17)
InChIKeyYOLNZYPKYVOTDK-UHFFFAOYSA-N
XLogP1.58
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-phenylpyrazin-2-yl)formamide?
The IUPAC name of N-(3-cyano-5-phenylpyrazin-2-yl)formamide (CID 820158) is N-(3-cyano-5-phenylpyrazin-2-yl)formamide.
What is the SMILES notation for N-(3-cyano-5-phenylpyrazin-2-yl)formamide?
The canonical SMILES for N-(3-cyano-5-phenylpyrazin-2-yl)formamide is N#Cc1nc(-c2ccccc2)cnc1NC=O.
What is the InChIKey of N-(3-cyano-5-phenylpyrazin-2-yl)formamide?
The InChIKey is YOLNZYPKYVOTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c13-6-10-12(15-8-17)14-7-11(16-10)9-4-2-1-3-5-9/h1-5,7-8H,(H,14,15,17).
What are the key properties of N-(3-cyano-5-phenylpyrazin-2-yl)formamide?
N-(3-cyano-5-phenylpyrazin-2-yl)formamide has a molecular weight of 224.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-phenylpyrazin-2-yl)formamide is sourced from PubChem (CID 820158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).