N'-hydroxypyrazine-2-carboximidamide

C5H6N4O — CID 135544955

IUPACN'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnccn1
InChIInChI=1S/C5H6N4O/c6-5(9-10)4-3-7-1-2-8-4/h1-3,10H,(H2,6,9)
InChIKeyQZHJCRJEMIFNNB-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.43
Rot. Bonds1

About N'-hydroxypyrazine-2-carboximidamide

N'-hydroxypyrazine-2-carboximidamide (PubChem CID 135544955) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxypyrazine-2-carboximidamide
PubChem CID135544955
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC NameN'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnccn1
InChIInChI=1S/C5H6N4O/c6-5(9-10)4-3-7-1-2-8-4/h1-3,10H,(H2,6,9)
InChIKeyQZHJCRJEMIFNNB-UHFFFAOYSA-N
XLogP-0.43
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
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'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxypyrazine-2-carboximidamide (CID 135544955) is N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxypyrazine-2-carboximidamide is N/C(=N\O)c1cnccn1.
What is the InChIKey of N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is QZHJCRJEMIFNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-5(9-10)4-3-7-1-2-8-4/h1-3,10H,(H2,6,9).
What are the key properties of N'-hydroxypyrazine-2-carboximidamide?
N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 138.13 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 135544955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).