N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide

C5H6N4O2 — CID 155888743

IUPACN'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide
SMILESNC(=NO)c1cncc(=O)[nH]1
InChIInChI=1S/C5H6N4O2/c6-5(9-11)3-1-7-2-4(10)8-3/h1-2,11H,(H2,6,9)(H,8,10)
InChIKeyOXVWTJUEQYAVRR-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.14
Rot. Bonds1

About N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide

N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide (PubChem CID 155888743) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide
PubChem CID155888743
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC NameN'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide
SMILESNC(=NO)c1cncc(=O)[nH]1
InChIInChI=1S/C5H6N4O2/c6-5(9-11)3-1-7-2-4(10)8-3/h1-2,11H,(H2,6,9)(H,8,10)
InChIKeyOXVWTJUEQYAVRR-UHFFFAOYSA-N
XLogP-1.14
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide (CID 155888743) is N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide is NC(=NO)c1cncc(=O)[nH]1.
What is the InChIKey of N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide?
The InChIKey is OXVWTJUEQYAVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-5(9-11)3-1-7-2-4(10)8-3/h1-2,11H,(H2,6,9)(H,8,10).
What are the key properties of N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide?
N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide has a molecular weight of 154.13 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-oxo-1H-pyrazine-2-carboximidamide is sourced from PubChem (CID 155888743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).