N-(3-cyanopyrazin-2-yl)formamide

C6H4N4O — CID 55286311

IUPACN-(3-cyanopyrazin-2-yl)formamide
SMILESN#Cc1nccnc1NC=O
InChIInChI=1S/C6H4N4O/c7-3-5-6(10-4-11)9-2-1-8-5/h1-2,4H,(H,9,10,11)
InChIKeyQFGUXHJNFKOBPV-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.08
Rot. Bonds2

About N-(3-cyanopyrazin-2-yl)formamide

N-(3-cyanopyrazin-2-yl)formamide (PubChem CID 55286311) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is N-(3-cyanopyrazin-2-yl)formamide.

Molecular Properties

Compound NameN-(3-cyanopyrazin-2-yl)formamide
PubChem CID55286311
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC NameN-(3-cyanopyrazin-2-yl)formamide
SMILESN#Cc1nccnc1NC=O
InChIInChI=1S/C6H4N4O/c7-3-5-6(10-4-11)9-2-1-8-5/h1-2,4H,(H,9,10,11)
InChIKeyQFGUXHJNFKOBPV-UHFFFAOYSA-N
XLogP-0.08
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.08
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-cyanopyrazin-2-yl)formamide?
The IUPAC name of N-(3-cyanopyrazin-2-yl)formamide (CID 55286311) is N-(3-cyanopyrazin-2-yl)formamide.
What is the SMILES notation for N-(3-cyanopyrazin-2-yl)formamide?
The canonical SMILES for N-(3-cyanopyrazin-2-yl)formamide is N#Cc1nccnc1NC=O.
What is the InChIKey of N-(3-cyanopyrazin-2-yl)formamide?
The InChIKey is QFGUXHJNFKOBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O/c7-3-5-6(10-4-11)9-2-1-8-5/h1-2,4H,(H,9,10,11).
What are the key properties of N-(3-cyanopyrazin-2-yl)formamide?
N-(3-cyanopyrazin-2-yl)formamide has a molecular weight of 148.12 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopyrazin-2-yl)formamide is sourced from PubChem (CID 55286311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).