oxonio(pyrazine-2-carboximidoyl)azanide

C5H6N4O — CID 139246150

IUPACoxonio(pyrazine-2-carboximidoyl)azanide
SMILES[H]/N=C(\[N-][OH2+])c1cnccn1
InChIInChI=1S/C5H6N4O/c6-5(9-10)4-3-7-1-2-8-4/h1-3H,10H2,(H-,6,9)
InChIKeySPGOYFXHWGRRAS-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.18
Rot. Bonds1

About oxonio(pyrazine-2-carboximidoyl)azanide

oxonio(pyrazine-2-carboximidoyl)azanide (PubChem CID 139246150) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is oxonio(pyrazine-2-carboximidoyl)azanide.

Molecular Properties

Compound Nameoxonio(pyrazine-2-carboximidoyl)azanide
PubChem CID139246150
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Nameoxonio(pyrazine-2-carboximidoyl)azanide
SMILES[H]/N=C(\[N-][OH2+])c1cnccn1
InChIInChI=1S/C5H6N4O/c6-5(9-10)4-3-7-1-2-8-4/h1-3H,10H2,(H-,6,9)
InChIKeySPGOYFXHWGRRAS-UHFFFAOYSA-N
XLogP-0.18
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxonio(pyrazine-2-carboximidoyl)azanide?
The IUPAC name of oxonio(pyrazine-2-carboximidoyl)azanide (CID 139246150) is oxonio(pyrazine-2-carboximidoyl)azanide.
What is the SMILES notation for oxonio(pyrazine-2-carboximidoyl)azanide?
The canonical SMILES for oxonio(pyrazine-2-carboximidoyl)azanide is [H]/N=C(\[N-][OH2+])c1cnccn1.
What is the InChIKey of oxonio(pyrazine-2-carboximidoyl)azanide?
The InChIKey is SPGOYFXHWGRRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-5(9-10)4-3-7-1-2-8-4/h1-3H,10H2,(H-,6,9).
What are the key properties of oxonio(pyrazine-2-carboximidoyl)azanide?
oxonio(pyrazine-2-carboximidoyl)azanide has a molecular weight of 138.13 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxonio(pyrazine-2-carboximidoyl)azanide is sourced from PubChem (CID 139246150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).